(2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

C15H13N3O — CID 7353285

IUPAC(2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESN#C[C@@H](c1ccco1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C15H13N3O/c16-11-14(15-7-4-10-19-15)18-9-8-13(17-18)12-5-2-1-3-6-12/h1-7,10,14H,8-9H2/t14-/m0/s1
InChIKeyFKLCKCGCFQYQBC-AWEZNQCLSA-N
MW251.29 g/mol
LogP2.95
Rot. Bonds3

About (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

(2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (PubChem CID 7353285) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name(2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
PubChem CID7353285
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name(2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESN#C[C@@H](c1ccco1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C15H13N3O/c16-11-14(15-7-4-10-19-15)18-9-8-13(17-18)12-5-2-1-3-6-12/h1-7,10,14H,8-9H2/t14-/m0/s1
InChIKeyFKLCKCGCFQYQBC-AWEZNQCLSA-N
XLogP2.95
TPSA52.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2S)-2-(furan-2-yl)-2-(5-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 (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The IUPAC name of (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (CID 7353285) is (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.
What is the SMILES notation for (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The canonical SMILES for (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is N#C[C@@H](c1ccco1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The InChIKey is FKLCKCGCFQYQBC-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H13N3O/c16-11-14(15-7-4-10-19-15)18-9-8-13(17-18)12-5-2-1-3-6-12/h1-7,10,14H,8-9H2/t14-/m0/s1.
What are the key properties of (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
(2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile has a molecular weight of 251.29 g/mol, XLogP of 2.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(furan-2-yl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is sourced from PubChem (CID 7353285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).