N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide

C26H22ClN3O2 — CID 19335882

IUPACN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN3O2/c1-17-24(18(2)30(29-17)16-19-8-4-3-5-9-19)28-26(32)23-11-7-6-10-22(23)25(31)20-12-14-21(27)15-13-20/h3-15H,16H2,1-2H3,(H,28,32)
InChIKeyWSLZIYYJCBUXMV-UHFFFAOYSA-N
MW443.93 g/mol
LogP5.68
Rot. Bonds6

About N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide (PubChem CID 19335882) has the molecular formula C26H22ClN3O2 and a molecular weight of 443.93 g/mol. Its IUPAC name is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide.

Molecular Properties

Compound NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide
PubChem CID19335882
Molecular FormulaC26H22ClN3O2
Molecular Weight443.93 g/mol
Exact Mass443.14
IUPAC NameN-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C26H22ClN3O2/c1-17-24(18(2)30(29-17)16-19-8-4-3-5-9-19)28-26(32)23-11-7-6-10-22(23)25(31)20-12-14-21(27)15-13-20/h3-15H,16H2,1-2H3,(H,28,32)
InChIKeyWSLZIYYJCBUXMV-UHFFFAOYSA-N
XLogP5.68
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.93
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-methylbenzoyl)benzamide
CID 19335881
N-[1-[(2-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-methylbenzoyl)benzamide
CID 19408227
4-chloro-N-[1-[(2-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 19335656
N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-2-fluorobenzamide
CID 17088839
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498502
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)pyridine-3-carboxamide
CID 35524107
3-bromo-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]benzamide
CID 17088711
4-[(1-benzyl-3,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-5-carboxylic acid
CID 19496108
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-3,5-dimethoxybenzamide
CID 19335776
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-4-(difluoromethoxy)benzamide
CID 19335756
2-(4-chlorobenzoyl)-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]benzamide
CID 19284701
N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3,4-dimethylbenzamide
CID 19396090

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide?
The IUPAC name of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide (CID 19335882) is N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide.
What is the SMILES notation for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide?
The canonical SMILES for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide is Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1.
What is the InChIKey of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide?
The InChIKey is WSLZIYYJCBUXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClN3O2/c1-17-24(18(2)30(29-17)16-19-8-4-3-5-9-19)28-26(32)23-11-7-6-10-22(23)25(31)20-12-14-21(27)15-13-20/h3-15H,16H2,1-2H3,(H,28,32).
What are the key properties of N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide?
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide has a molecular weight of 443.93 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-2-(4-chlorobenzoyl)benzamide is sourced from PubChem (CID 19335882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).