3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide

C26H23ClN4O3 — CID 16546557

IUPAC3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-30(17-25(32)28-20-12-14-22(34-2)15-13-20)26(33)24-16-23(18-8-10-19(27)11-9-18)29-31(24)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,28,32)
InChIKeyGSOISLGSDYCZEO-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.91
Rot. Bonds7

About 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide (PubChem CID 16546557) has the molecular formula C26H23ClN4O3 and a molecular weight of 474.95 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
PubChem CID16546557
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-30(17-25(32)28-20-12-14-22(34-2)15-13-20)26(33)24-16-23(18-8-10-19(27)11-9-18)29-31(24)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,28,32)
InChIKeyGSOISLGSDYCZEO-UHFFFAOYSA-N
XLogP4.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.95
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N,N-diethyl-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755325
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-5-carboxamide
CID 7900022
N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 27740069
1-(4-chlorophenyl)-N-[2-(dimethylamino)ethyl]-3-(4-methoxyphenyl)pyrazole-5-carboxamide
CID 42755338
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(4-methoxyphenyl)-N-methylpyrazole-5-carboxamide
CID 42660597
N-(4-chlorophenyl)-2-[2-(4-methoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5-yl]acetamide
CID 8721630
3-(4-methoxyphenyl)-1-phenylpyrazole-5-carboxamide
CID 10859327
3-(4-methoxyphenyl)-1-phenyl-N-propan-2-ylpyrazole-5-carboxamide
CID 812061
3-cyclopropyl-N-[2-(4-fluoroanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9452252
1-(4-chlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-phenylpyrazole-5-carboxamide
CID 3902581
3-[[4-[[3-(4-chlorophenyl)-1-phenylpyrazole-5-carbonyl]amino]benzoyl]amino]propanoic acid
CID 166202136
3,5-dichloro-N-[3-(4-methoxyphenyl)-1-phenylpyrazol-5-yl]benzamide
CID 46088105

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide (CID 16546557) is 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
The InChIKey is GSOISLGSDYCZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-30(17-25(32)28-20-12-14-22(34-2)15-13-20)26(33)24-16-23(18-8-10-19(27)11-9-18)29-31(24)21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,28,32).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide has a molecular weight of 474.95 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 16546557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).