5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile

C13H8ClF2N3 — CID 63787735

IUPAC5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)nn(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H8ClF2N3/c14-13-9(6-17)12(7-1-2-7)18-19(13)11-4-3-8(15)5-10(11)16/h3-5,7H,1-2H2
InChIKeySGOIAQIYVNXQMP-UHFFFAOYSA-N
MW279.68 g/mol
LogP3.55
Rot. Bonds2

About 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile

5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile (PubChem CID 63787735) has the molecular formula C13H8ClF2N3 and a molecular weight of 279.68 g/mol. Its IUPAC name is 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
PubChem CID63787735
Molecular FormulaC13H8ClF2N3
Molecular Weight279.68 g/mol
Exact Mass279.04
IUPAC Name5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C2CC2)nn(-c2ccc(F)cc2F)c1Cl
InChIInChI=1S/C13H8ClF2N3/c14-13-9(6-17)12(7-1-2-7)18-19(13)11-4-3-8(15)5-10(11)16/h3-5,7H,1-2H2
InChIKeySGOIAQIYVNXQMP-UHFFFAOYSA-N
XLogP3.55
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.68
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile
CID 57398385
2-Chloro-6-(3,5-dimethylpyrazol-1-yl)benzonitrile
CID 2804374
2-Chloro-4-[4-[2-(4-fluorophenyl)ethyl]-3,5-dimethylpyrazol-1-yl]benzonitrile
CID 57400047
3-chloro-4-[4-(4-fluorobenzyl)-3,5-dimethyl-1H-pyrazol-1-yl]benzonitrile
CID 57401855
5-chloro-4-(chloromethyl)-3-methyl-1-phenyl-1H-pyrazole
CID 4962775
2-Chloro-4-[4-(4-fluorophenyl)-3,5-dimethylpyrazol-1-yl]benzonitrile
CID 57391351
5-Chloro-3-methyl-1-phenyl-1H-pyrazole
CID 2735771
5-chloro-3-methyl-1-phenyl-1H-pyrazole-4-carbonitrile
CID 2748811
5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazole
CID 2116869
3-[[5-Chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]methylideneamino]benzonitrile
CID 2351455
2-[[5-(4-Chlorophenyl)-1-phenyl-3-(trifluoromethyl)pyrazol-4-yl]methylidene]propanedinitrile
CID 70683560
4-[5-(4-Chlorophenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzonitrile
CID 71727324

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile (CID 63787735) is 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile is N#Cc1c(C2CC2)nn(-c2ccc(F)cc2F)c1Cl.
What is the InChIKey of 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile?
The InChIKey is SGOIAQIYVNXQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF2N3/c14-13-9(6-17)12(7-1-2-7)18-19(13)11-4-3-8(15)5-10(11)16/h3-5,7H,1-2H2.
What are the key properties of 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile?
5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile has a molecular weight of 279.68 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-cyclopropyl-1-(2,4-difluorophenyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 63787735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).