PYRAPROPOYNE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C21H22ClF2N5O2
Molecular Weight	449.881
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	1
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CC(C)O\N=C(\CNC(=O)C1=CN(C)N=C1C(F)F)C2=NC=C(C=C2Cl)C#CC3CC3

InChI

InChIKey=HIFFCWPIDUPFTA-QRQIAZFYSA-N

InChI=1S/C21H22ClF2N5O2/c1-12(2)31-28-17(10-26-21(30)15-11-29(3)27-18(15)20(23)24)19-16(22)8-14(9-25-19)7-6-13-4-5-13/h8-9,11-13,20H,4-5,10H2,1-3H3,(H,26,30)/b28-17-

HIDE SMILES / InChI

Molecular Formula	C21H22ClF2N5O2
Molecular Weight	449.881
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	1
Optical Activity	NONE

Approval Year

Substance Class	Chemical Created by `admin` on `Wed Apr 02 12:02:01 GMT 2025` Edited by `admin` on `Wed Apr 02 12:02:01 GMT 2025`
Record UNII	RBB334CJN5
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

PYRAPROPOYNE

Official Name

English

PYRAPROPOYNE [ISO]

Preferred Name

English

N-((2Z)-2-(3-CHLORO-5-(2-CYCLOPROPYLETHYNYL)-2-PYRIDINYL)-2-((1-METHYLETHOXY)IMINO)ETHYL)-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE

Systematic Name

English

1H-PYRAZOLE-4-CARBOXAMIDE, N-((2Z)-2-(3-CHLORO-5-(2-CYCLOPROPYLETHYNYL)-2-PYRIDINYL)-2-((1-METHYLETHOXY)IMINO)ETHYL)-3-(DIFLUOROMETHYL)-1-METHYL-

Systematic Name

English

N-((2Z)-2-(3-CHLORO-5-(CYCLOPROPYLETHYNYL)PYRIDIN-2-YL)-2-((PROPAN-2-YLOXY)IMINO)ETHYL)-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE

Systematic Name

English

(Z)-N-(2-(3-CHLORO-5-(CYCLOPROPYLETHYNYL)-2-PYRIDYL)-2-(ISOPROPOXYIMINO)ETHYL)-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXAMIDE

Systematic Name

English

Code System Code Type Description

EPA CompTox

DTXSID701020474