4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide

C21H22N4O3 — CID 55892920

IUPAC4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1
InChIInChI=1S/C21H22N4O3/c1-3-13-22-20(26)15-9-11-16(12-10-15)23-21(27)19-18(28-2)14-25(24-19)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXNWNTCKOTFIOTI-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.27
Rot. Bonds7

About 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide

4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide (PubChem CID 55892920) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
PubChem CID55892920
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide
SMILESCCCNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1
InChIInChI=1S/C21H22N4O3/c1-3-13-22-20(26)15-9-11-16(12-10-15)23-21(27)19-18(28-2)14-25(24-19)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,27)
InChIKeyXNWNTCKOTFIOTI-UHFFFAOYSA-N
XLogP3.27
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 7992464
N-(4-butan-2-ylphenyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 16561064
4-methoxy-1-phenyl-N-pyridin-4-ylpyrazole-3-carboxamide
CID 17440224
N-[4-(ethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 55802087
5-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]pentanoic acid
CID 119234819
methyl 2-[[4-[[4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carbonyl]amino]benzoyl]amino]acetate
CID 55509890
[2-(4-carbamoylanilino)-2-oxoethyl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7523382
N-[2-(2-fluorophenyl)ethyl]-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 27847993
methyl 7-[(4-methoxy-1-phenylpyrazole-3-carbonyl)amino]heptanoate
CID 36624024
[(2R)-1-(4-acetylanilino)-1-oxopropan-2-yl] 4-methoxy-1-phenylpyrazole-3-carboxylate
CID 7992073
N-[4-(diethylcarbamoyl)phenyl]-4-methoxy-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 24622491
N-(2-benzylsulfanylethyl)-4-methoxy-1-phenylpyrazole-3-carboxamide
CID 9490337

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The IUPAC name of 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide (CID 55892920) is 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide.
What is the SMILES notation for 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The canonical SMILES for 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide is CCCNC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)cc2OC)cc1.
What is the InChIKey of 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide?
The InChIKey is XNWNTCKOTFIOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-3-13-22-20(26)15-9-11-16(12-10-15)23-21(27)19-18(28-2)14-25(24-19)17-7-5-4-6-8-17/h4-12,14H,3,13H2,1-2H3,(H,22,26)(H,23,27).
What are the key properties of 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide?
4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.27, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-phenyl-N-[4-(propylcarbamoyl)phenyl]pyrazole-3-carboxamide is sourced from PubChem (CID 55892920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).