2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile

C19H11ClN4 — CID 724355

IUPAC2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN4/c20-17-8-6-15(7-9-17)19-16(10-14(11-21)12-22)13-24(23-19)18-4-2-1-3-5-18/h1-10,13H
InChIKeyYEYOGQVFAYGRFA-UHFFFAOYSA-N
MW330.78 g/mol
LogP4.62
Rot. Bonds3

About 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile

2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile (PubChem CID 724355) has the molecular formula C19H11ClN4 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile
PubChem CID724355
Molecular FormulaC19H11ClN4
Molecular Weight330.78 g/mol
Exact Mass330.07
IUPAC Name2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile
SMILESN#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1
InChIInChI=1S/C19H11ClN4/c20-17-8-6-15(7-9-17)19-16(10-14(11-21)12-22)13-24(23-19)18-4-2-1-3-5-18/h1-10,13H
InChIKeyYEYOGQVFAYGRFA-UHFFFAOYSA-N
XLogP4.62
TPSA65.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-(4-chlorophenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 5344074
1H-Pyrazole-4-carbonitrile, 1,3-diphenyl-
CID 700979
3-(4-chlorophenyl)-1-phenyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole
CID 9883653
5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl-3-[(E)-piperidinoiminomethyl]-1H-pyrazole
CID 16086925
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoroaniline
CID 70696757
1,3-Diphenyl-1H-pyrazole-4-carbaldehyde oxime
CID 5341356
5-(4-Chlorophenyl)-1,3-diphenylpyrazole
CID 280869
(2E)-3-[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]prop-2-enoic acid
CID 746768
4-(chloromethyl)-1,3-diphenyl-1H-pyrazole
CID 2333908
4-{[3-(4-chlorophenyl)-1-phenyl-1H-pyrazol-4-yl]methylene}-5-methyl-2,4-dihydro-3H-pyrazol-3-one
CID 5508807
3-[3-(4-chlorophenyl)-4-[(Z)-(3-methyl-5-oxo-1-phenylpyrazol-4-ylidene)methyl]pyrazol-1-yl]propanenitrile
CID 6104113
1-[3-(3-chlorophenyl)-1-methyl-1H-pyrazol-4-yl]-N-methyl-N-[(3-methylpyridin-4-yl)methyl]methanamine
CID 16187592

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile (CID 724355) is 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile is N#CC(C#N)=Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile?
The InChIKey is YEYOGQVFAYGRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClN4/c20-17-8-6-15(7-9-17)19-16(10-14(11-21)12-22)13-24(23-19)18-4-2-1-3-5-18/h1-10,13H.
What are the key properties of 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile?
2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile has a molecular weight of 330.78 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methylidene]propanedinitrile is sourced from PubChem (CID 724355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).