N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide

C23H18ClN3O — CID 19285520

IUPACN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
SMILESO=C(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O/c24-21-9-5-4-8-20(21)16-27-15-14-22(26-27)25-23(28)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26,28)
InChIKeyWKDHNBFHHDUCHK-UHFFFAOYSA-N
MW387.87 g/mol
LogP5.50
Rot. Bonds5

About N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide (PubChem CID 19285520) has the molecular formula C23H18ClN3O and a molecular weight of 387.87 g/mol. Its IUPAC name is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide.

Molecular Properties

Compound NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
PubChem CID19285520
Molecular FormulaC23H18ClN3O
Molecular Weight387.87 g/mol
Exact Mass387.11
IUPAC NameN-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
SMILESO=C(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H18ClN3O/c24-21-9-5-4-8-20(21)16-27-15-14-22(26-27)25-23(28)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26,28)
InChIKeyWKDHNBFHHDUCHK-UHFFFAOYSA-N
XLogP5.50
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 ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1-ethylpyrazole-3-carboxamide
CID 19285284
2-bromo-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285329
4-phenyl-N-[1-[(2,3,5,6-tetrafluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19286615
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19285346
4-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496154
N-(1-benzylpyrazol-3-yl)-4-ethylbenzamide
CID 19286300
2-[5-[[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]carbamoyl]pyrazol-1-yl]propanoic acid
CID 19485905
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19285483
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 19285356
1-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylthiourea
CID 19395134
2-chloro-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-3-yl]benzamide
CID 19402865
N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-4-nitrobenzamide
CID 19407162

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide?
The IUPAC name of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide (CID 19285520) is N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide.
What is the SMILES notation for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide?
The canonical SMILES for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide is O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide?
The InChIKey is WKDHNBFHHDUCHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O/c24-21-9-5-4-8-20(21)16-27-15-14-22(26-27)25-23(28)19-12-10-18(11-13-19)17-6-2-1-3-7-17/h1-15H,16H2,(H,25,26,28).
What are the key properties of N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide?
N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide has a molecular weight of 387.87 g/mol, XLogP of 5.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide is sourced from PubChem (CID 19285520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).