3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde

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NCATS

Details

Stereochemistry	ACHIRAL
Molecular Formula	C12H12N2O
Molecular Weight	200.2365
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure of 3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde

Structure Search

SMILES

CC1=NN(C(C)=C1C=O)C2=CC=CC=C2

InChI

InChIKey=VOMRTQQGXWPTJK-UHFFFAOYSA-N

InChI=1S/C12H12N2O/c1-9-12(8-15)10(2)14(13-9)11-6-4-3-5-7-11/h3-8H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C12H12N2O
Molecular Weight	200.2365
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Tue Apr 01 18:51:35 GMT 2025` Edited by `admin` on `Tue Apr 01 18:51:35 GMT 2025`
Record UNII	YP9D77F7PY
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

3,5-Dimethyl-1-phenyl-1H-pyrazole-4-carboxaldehyde

Systematic Name

English

1H-Pyrazole-4-carboxaldehyde, 3,5-dimethyl-1-phenyl-

Preferred Name

English

Code System Code Type Description

EPA CompTox

DTXSID9066756

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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FDA UNII

YP9D77F7PY

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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ECHA (EC/EINECS)

244-750-9

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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PUBCHEM

89179

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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CAS

22042-79-1

Created by admin on Tue Apr 01 18:51:35 GMT 2025 , Edited by admin on Tue Apr 01 18:51:35 GMT 2025

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