1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea

C17H12ClN5O — CID 86895938

IUPAC1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)c1
InChIInChI=1S/C17H12ClN5O/c18-15-6-1-2-7-16(15)23-11-14(10-20-23)22-17(24)21-13-5-3-4-12(8-13)9-19/h1-8,10-11H,(H2,21,22,24)
InChIKeyKDHQVYGKDZWHSF-UHFFFAOYSA-N
MW337.77 g/mol
LogP4.04
Rot. Bonds3

About 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea (PubChem CID 86895938) has the molecular formula C17H12ClN5O and a molecular weight of 337.77 g/mol. Its IUPAC name is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea.

Molecular Properties

Compound Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
PubChem CID86895938
Molecular FormulaC17H12ClN5O
Molecular Weight337.77 g/mol
Exact Mass337.07
IUPAC Name1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea
SMILESN#Cc1cccc(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)c1
InChIInChI=1S/C17H12ClN5O/c18-15-6-1-2-7-16(15)23-11-14(10-20-23)22-17(24)21-13-5-3-4-12(8-13)9-19/h1-8,10-11H,(H2,21,22,24)
InChIKeyKDHQVYGKDZWHSF-UHFFFAOYSA-N
XLogP4.04
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.77
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea 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

1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(4-cyanophenyl)urea
CID 86895935
1-(3-cyanophenyl)-3-[3-[(3-cyanophenyl)carbamoylamino]phenyl]urea
CID 11101346
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-hydroxypropyl)urea
CID 111458977
1-(4-chlorophenyl)-3-(3-cyanophenyl)urea
CID 721971
1-(4-chloro-3-hydroxyphenyl)-3-(3-cyanophenyl)urea
CID 64789061
1-(2-amino-6-chlorophenyl)-3-(3-cyanophenyl)urea
CID 62085872
1-(4-cyanophenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 47081496
1-(3-cyanophenyl)-3-pyridin-4-ylurea
CID 110706525
1-(3-cyanophenyl)-3-(2,4-dichlorophenyl)urea
CID 4251822
N-[1-(2-chlorophenyl)pyrazol-4-yl]pyrazine-2-carboxamide
CID 56782231
1-(2-chlorophenyl)-N-(3-cyanophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 8777620
2-[(2-chlorophenyl)methylsulfanyl]-N-(3-cyanophenyl)acetamide
CID 9269727

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea?
The IUPAC name of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea (CID 86895938) is 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea.
What is the SMILES notation for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea?
The canonical SMILES for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea is N#Cc1cccc(NC(=O)Nc2cnn(-c3ccccc3Cl)c2)c1.
What is the InChIKey of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea?
The InChIKey is KDHQVYGKDZWHSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12ClN5O/c18-15-6-1-2-7-16(15)23-11-14(10-20-23)22-17(24)21-13-5-3-4-12(8-13)9-19/h1-8,10-11H,(H2,21,22,24).
What are the key properties of 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea?
1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea has a molecular weight of 337.77 g/mol, XLogP of 4.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-chlorophenyl)pyrazol-4-yl]-3-(3-cyanophenyl)urea is sourced from PubChem (CID 86895938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).