2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

C18H16FN3 — CID 2987469

IUPAC2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCC1=NN(C(C#N)c2ccc(F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C18H16FN3/c1-13-11-17(14-5-3-2-4-6-14)22(21-13)18(12-20)15-7-9-16(19)10-8-15/h2-10,17-18H,11H2,1H3
InChIKeyVINDNHHXSSRBLW-UHFFFAOYSA-N
MW293.35 g/mol
LogP4.21
Rot. Bonds3

About 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (PubChem CID 2987469) has the molecular formula C18H16FN3 and a molecular weight of 293.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
PubChem CID2987469
Molecular FormulaC18H16FN3
Molecular Weight293.35 g/mol
Exact Mass293.13
IUPAC Name2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESCC1=NN(C(C#N)c2ccc(F)cc2)C(c2ccccc2)C1
InChIInChI=1S/C18H16FN3/c1-13-11-17(14-5-3-2-4-6-14)22(21-13)18(12-20)15-7-9-16(19)10-8-15/h2-10,17-18H,11H2,1H3
InChIKeyVINDNHHXSSRBLW-UHFFFAOYSA-N
XLogP4.21
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile 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 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The IUPAC name of 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (CID 2987469) is 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The canonical SMILES for 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is CC1=NN(C(C#N)c2ccc(F)cc2)C(c2ccccc2)C1.
What is the InChIKey of 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The InChIKey is VINDNHHXSSRBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3/c1-13-11-17(14-5-3-2-4-6-14)22(21-13)18(12-20)15-7-9-16(19)10-8-15/h2-10,17-18H,11H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile has a molecular weight of 293.35 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-2-(5-methyl-3-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is sourced from PubChem (CID 2987469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).