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

C26H23ClN4O3 — CID 24980940

IUPAC3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-30(17-24(32)28-20-12-14-22(34-2)15-13-20)26(33)23-16-31(21-6-4-3-5-7-21)29-25(23)18-8-10-19(27)11-9-18/h3-16H,17H2,1-2H3,(H,28,32)
InChIKeyWPPVLVVDJNKFMD-UHFFFAOYSA-N
MW474.95 g/mol
LogP4.91
Rot. Bonds7

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

3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 24980940) 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-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID24980940
Molecular FormulaC26H23ClN4O3
Molecular Weight474.95 g/mol
Exact Mass474.15
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C26H23ClN4O3/c1-30(17-24(32)28-20-12-14-22(34-2)15-13-20)26(33)23-16-31(21-6-4-3-5-7-21)29-25(23)18-8-10-19(27)11-9-18/h3-16H,17H2,1-2H3,(H,28,32)
InChIKeyWPPVLVVDJNKFMD-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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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide (CID 24980940) is 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)CN(C)C(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is WPPVLVVDJNKFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN4O3/c1-30(17-24(32)28-20-12-14-22(34-2)15-13-20)26(33)23-16-31(21-6-4-3-5-7-21)29-25(23)18-8-10-19(27)11-9-18/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-4-carboxamide?
3-(4-chlorophenyl)-N-[2-(4-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-4-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-4-carboxamide is sourced from PubChem (CID 24980940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).