(2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

C17H14ClN3 — CID 7356996

IUPAC(2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESN#C[C@@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H14ClN3/c18-15-8-6-14(7-9-15)17(12-19)21-11-10-16(20-21)13-4-2-1-3-5-13/h1-9,17H,10-11H2/t17-/m0/s1
InChIKeyNYKLPCLKDJXQII-KRWDZBQOSA-N
MW295.77 g/mol
LogP4.01
Rot. Bonds3

About (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile

(2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (PubChem CID 7356996) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.

Molecular Properties

Compound Name(2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
PubChem CID7356996
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name(2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile
SMILESN#C[C@@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1
InChIInChI=1S/C17H14ClN3/c18-15-8-6-14(7-9-15)17(12-19)21-11-10-16(20-21)13-4-2-1-3-5-13/h1-9,17H,10-11H2/t17-/m0/s1
InChIKeyNYKLPCLKDJXQII-KRWDZBQOSA-N
XLogP4.01
TPSA39.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The IUPAC name of (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile (CID 7356996) is (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile.
What is the SMILES notation for (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The canonical SMILES for (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is N#C[C@@H](c1ccc(Cl)cc1)N1CCC(c2ccccc2)=N1.
What is the InChIKey of (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
The InChIKey is NYKLPCLKDJXQII-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H14ClN3/c18-15-8-6-14(7-9-15)17(12-19)21-11-10-16(20-21)13-4-2-1-3-5-13/h1-9,17H,10-11H2/t17-/m0/s1.
What are the key properties of (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile?
(2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile has a molecular weight of 295.77 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-chlorophenyl)-2-(5-phenyl-3,4-dihydropyrazol-2-yl)acetonitrile is sourced from PubChem (CID 7356996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).