3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide

C26H23ClN4O2 — CID 46529777

IUPAC3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H23ClN4O2/c1-30(2)26(33)20-10-8-18(9-11-20)17-28-25(32)24-16-23(19-12-14-21(27)15-13-19)29-31(24)22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,28,32)
InChIKeyZYJHPYSJPVVMNH-UHFFFAOYSA-N
MW458.95 g/mol
LogP4.82
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide (PubChem CID 46529777) has the molecular formula C26H23ClN4O2 and a molecular weight of 458.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
PubChem CID46529777
Molecular FormulaC26H23ClN4O2
Molecular Weight458.95 g/mol
Exact Mass458.15
IUPAC Name3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide
SMILESCN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H23ClN4O2/c1-30(2)26(33)20-10-8-18(9-11-20)17-28-25(32)24-16-23(19-12-14-21(27)15-13-19)29-31(24)22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,28,32)
InChIKeyZYJHPYSJPVVMNH-UHFFFAOYSA-N
XLogP4.82
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.95
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-[(2-amino-2-oxoethyl)carbamoyl]phenyl]methyl]-3-(4-chlorophenyl)-1-phenylpyrazole-5-carboxamide
CID 55815124
3-(4-chlorophenyl)-1-phenyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 9115824
N-benzyl-1-(4-chlorophenyl)-3-(furan-2-yl)pyrazole-5-carboxamide
CID 1053385
3-[[4-[[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]amino]benzoyl]amino]propanoic acid
CID 166202136
3-(4-chlorophenyl)-N'-(3-ethyl-4-oxoquinazolin-2-yl)-1-phenylpyrazole-5-carbohydrazide
CID 24598199
N-benzyl-1-(4-chlorophenyl)-3-(2,4-dimethoxyphenyl)pyrazole-5-carboxamide
CID 4310437
N-[(4-chlorophenyl)methyl]-4-methoxy-6-oxo-1-phenylpyridazine-3-carboxamide
CID 8553924
3-(4-chlorophenyl)-N-[(1-methylpyrrolidin-3-yl)methyl]-1-phenylpyrazole-5-carboxamide;2,2,2-trifluoroacetic acid
CID 166201337
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
3-cyclopropyl-N-[(4-methylphenyl)methyl]-1-phenylpyrazole-5-carboxamide
CID 9292766
3-(4-chlorophenyl)-N-[2-(1,1-dioxo-1,2-thiazolidin-2-yl)ethyl]-1-phenylpyrazole-5-carboxamide
CID 60604816
[2-(4-chlorophenyl)-2-oxoethyl] 1,3-diphenylpyrazole-5-carboxylate
CID 2400676

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide (CID 46529777) is 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide is CN(C)C(=O)c1ccc(CNC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide?
The InChIKey is ZYJHPYSJPVVMNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O2/c1-30(2)26(33)20-10-8-18(9-11-20)17-28-25(32)24-16-23(19-12-14-21(27)15-13-19)29-31(24)22-6-4-3-5-7-22/h3-16H,17H2,1-2H3,(H,28,32).
What are the key properties of 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide has a molecular weight of 458.95 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[[4-(dimethylcarbamoyl)phenyl]methyl]-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 46529777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).