3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

C23H18ClN3O2 — CID 1217387

IUPAC3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
InChIKeyPESBDYLETBKMKX-UHFFFAOYSA-N
MW403.87 g/mol
LogP5.45
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide

3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 1217387) has the molecular formula C23H18ClN3O2 and a molecular weight of 403.87 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID1217387
Molecular FormulaC23H18ClN3O2
Molecular Weight403.87 g/mol
Exact Mass403.11
IUPAC Name3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28)
InChIKeyPESBDYLETBKMKX-UHFFFAOYSA-N
XLogP5.45
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.87
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
5-chloro-N-(4-methoxyphenyl)-3-methyl-1-phenylpyrazole-4-carboxamide
CID 679804
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
2,5-Dihydro-2-(4-methoxyphenyl)-7-phenyl-4H-pyrazolo(3,4-d)pyridazin-4-one
CID 6409092
N-(4-methoxyphenyl)-3-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 1340223
1-(4-Chlorophenyl)-N-(2-{[(4-ethoxyphenyl)carbonyl]amino}ethyl)-3-(trifluoromethyl)-1Hpyrazole-4-carboxamide
CID 46884918
7-chloro-3-methyl-2-[1-[[4-(trifluoromethoxy)phenyl]methyl]pyrazol-4-yl]-1H-quinolin-4-one
CID 67616186
N-(4-methoxyphenyl)-3-(4-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 70694214
3-(4-methoxyphenyl)-N-[(4-methoxyphenyl)carbamothioyl]-1-phenylpyrazole-4-carboxamide
CID 72707853
N-(2-methoxybenzyl)-5-methyl-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 997165
1-(2-ethylphenyl)-N-(4-methoxyphenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 1235420

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide (CID 1217387) is 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is COc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is PESBDYLETBKMKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN3O2/c1-29-20-13-11-18(12-14-20)25-23(28)21-15-27(19-5-3-2-4-6-19)26-22(21)16-7-9-17(24)10-8-16/h2-15H,1H3,(H,25,28).
What are the key properties of 3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide?
3-(4-chlorophenyl)-N-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 403.87 g/mol, XLogP of 5.45, 5 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-methoxyphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 1217387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).