5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

C11H4Cl2F3N3 — CID 63790194

IUPAC5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C11H4Cl2F3N3/c12-6-1-3-7(4-2-6)19-10(13)8(5-17)9(18-19)11(14,15)16/h1-4H
InChIKeyYSHMFWYTLKSJHQ-UHFFFAOYSA-N
MW306.07 g/mol
LogP4.07
Rot. Bonds1

About 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 63790194) has the molecular formula C11H4Cl2F3N3 and a molecular weight of 306.07 g/mol. Its IUPAC name is 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID63790194
Molecular FormulaC11H4Cl2F3N3
Molecular Weight306.07 g/mol
Exact Mass304.97
IUPAC Name5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESN#Cc1c(C(F)(F)F)nn(-c2ccc(Cl)cc2)c1Cl
InChIInChI=1S/C11H4Cl2F3N3/c12-6-1-3-7(4-2-6)19-10(13)8(5-17)9(18-19)11(14,15)16/h1-4H
InChIKeyYSHMFWYTLKSJHQ-UHFFFAOYSA-N
XLogP4.07
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.07
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 63790194) is 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is N#Cc1c(C(F)(F)F)nn(-c2ccc(Cl)cc2)c1Cl.
What is the InChIKey of 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is YSHMFWYTLKSJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4Cl2F3N3/c12-6-1-3-7(4-2-6)19-10(13)8(5-17)9(18-19)11(14,15)16/h1-4H.
What are the key properties of 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 306.07 g/mol, XLogP of 4.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-(4-chlorophenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 63790194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).