4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide

C23H18ClN3O — CID 19290337

IUPAC4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O/c24-20-13-11-18(12-14-20)23(28)25-15-19-16-27(21-9-5-2-6-10-21)26-22(19)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,25,28)
InChIKeyAZYSRTFGABLUTP-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.12
Rot. Bonds5

About 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide

4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide (PubChem CID 19290337) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
PubChem CID19290337
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC Name4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
SMILESO=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C23H18ClN3O/c24-20-13-11-18(12-14-20)23(28)25-15-19-16-27(21-9-5-2-6-10-21)26-22(19)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,25,28)
InChIKeyAZYSRTFGABLUTP-UHFFFAOYSA-N
XLogP5.12
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.87
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide 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

3-(4-chlorophenyl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1H-pyrazole-5-carboxamide
CID 19509375
N-[(1,3-diphenylpyrazol-4-yl)methyl]-4-(methanesulfonamido)benzamide
CID 42116246
CID 67048003
CID 67048003
N-(2-acetamidoethyl)-2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]acetamide
CID 17440547
N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-ethylpyrazole-4-carboxamide
CID 19281007
N-[2-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl-methylamino]-2-oxoethyl]benzamide
CID 24547321
4-bromo-N-[(1,3-diphenylpyrazol-4-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 19262748
3-(1,3-dioxoisoindol-2-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19288807
2-chloro-N-[2-[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]ethyl]acetamide
CID 167935958
2-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]-5-methylsulfanylbenzamide
CID 19288805
N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(methoxymethyl)benzamide
CID 24548704
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide (CID 19290337) is 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide is O=C(NCc1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is AZYSRTFGABLUTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-20-13-11-18(12-14-20)23(28)25-15-19-16-27(21-9-5-2-6-10-21)26-22(19)17-7-3-1-4-8-17/h1-14,16H,15H2,(H,25,28).
What are the key properties of 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide?
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 387.87 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 19290337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).