1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

C18H11F4N3 — CID 163213042

IUPAC1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(C(F)(F)F)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H11F4N3/c1-11-2-4-12(5-3-11)16-15(10-23)17(18(20,21)22)24-25(16)14-8-6-13(19)7-9-14/h2-9H,1H3
InChIKeyBFQMZMZEUZHGSM-UHFFFAOYSA-N
MW345.30 g/mol
LogP4.88
Rot. Bonds2

About 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile

1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (PubChem CID 163213042) has the molecular formula C18H11F4N3 and a molecular weight of 345.30 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
PubChem CID163213042
Molecular FormulaC18H11F4N3
Molecular Weight345.30 g/mol
Exact Mass345.09
IUPAC Name1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile
SMILESCc1ccc(-c2c(C#N)c(C(F)(F)F)nn2-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H11F4N3/c1-11-2-4-12(5-3-11)16-15(10-23)17(18(20,21)22)24-25(16)14-8-6-13(19)7-9-14/h2-9H,1H3
InChIKeyBFQMZMZEUZHGSM-UHFFFAOYSA-N
XLogP4.88
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.30
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-fluorophenyl)-5-(4-methylphenyl)-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 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The IUPAC name of 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile (CID 163213042) is 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile.
What is the SMILES notation for 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The canonical SMILES for 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is Cc1ccc(-c2c(C#N)c(C(F)(F)F)nn2-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
The InChIKey is BFQMZMZEUZHGSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F4N3/c1-11-2-4-12(5-3-11)16-15(10-23)17(18(20,21)22)24-25(16)14-8-6-13(19)7-9-14/h2-9H,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile?
1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile has a molecular weight of 345.30 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-(4-methylphenyl)-3-(trifluoromethyl)pyrazole-4-carbonitrile is sourced from PubChem (CID 163213042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).