5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide

C30H30N4O4S — CID 67662896

IUPAC5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(N)=O)c1-c1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1C1CC1
InChIInChI=1S/C30H30N4O4S/c1-3-17-34-28(27(29(31)35)19(2)32-34)24-16-15-22(18-25(24)20-13-14-20)23-11-7-8-12-26(23)39(37,38)33-30(36)21-9-5-4-6-10-21/h4-12,15-16,18,20H,3,13-14,17H2,1-2H3,(H2,31,35)(H,33,36)
InChIKeyVDXJNHHSCZGDDZ-UHFFFAOYSA-N
MW542.66 g/mol
LogP5.03
Rot. Bonds9

About 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide

5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide (PubChem CID 67662896) has the molecular formula C30H30N4O4S and a molecular weight of 542.66 g/mol. Its IUPAC name is 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide
PubChem CID67662896
Molecular FormulaC30H30N4O4S
Molecular Weight542.66 g/mol
Exact Mass542.20
IUPAC Name5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide
SMILESCCCn1nc(C)c(C(N)=O)c1-c1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1C1CC1
InChIInChI=1S/C30H30N4O4S/c1-3-17-34-28(27(29(31)35)19(2)32-34)24-16-15-22(18-25(24)20-13-14-20)23-11-7-8-12-26(23)39(37,38)33-30(36)21-9-5-4-6-10-21/h4-12,15-16,18,20H,3,13-14,17H2,1-2H3,(H2,31,35)(H,33,36)
InChIKeyVDXJNHHSCZGDDZ-UHFFFAOYSA-N
XLogP5.03
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.66
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-Cyclopropyl-5-[[2'-(phenylcarbonylaminosulfonyl)-1,1'-biphenyl-4-yl]methyl]-1-propyl-1H-pyrazole-4-carboxamide
CID 10506677
3-Cyclopropyl-5-[[2'-(phenylcarbonylaminosulfonyl)-1,1'-biphenyl-4-yl]methyl]-1-propyl-1H-pyrazole-4-carboxylic acid
CID 10530556
5-[[4-[2-(Benzoylsulfamoyl)phenyl]phenyl]methyl]-1-butyl-3-methylpyrazole-4-carboxylic acid
CID 10697537
3-Cyclopropyl-5-[[4-[2-(phenylsulfamoyl)phenyl]phenyl]methyl]-1-propylpyrazole-4-carboxamide
CID 76320045
3-(3-Carbamimidoyl-phenyl)-1-methyl-1H-pyrazole-4-carboxylic acid (2''-sulfamoyl-biphenyl-4-yl)-amide; TFA
CID 44372533
tert-butyl N-[2-[4-[[4-[(2-benzoylphenyl)methyl]-3-propan-2-yl-1-propylpyrazol-5-yl]methyl]-2-fluorophenyl]phenyl]sulfonylcarbamate
CID 53650560
tert-butyl N-[2-[4-[[4-[(3-benzoylphenyl)methyl]-3-propan-2-yl-1-propylpyrazol-5-yl]methyl]-2-fluorophenyl]phenyl]sulfonylcarbamate
CID 53815059
N-(benzenesulfonyl)-2-[(2,6-dimethylphenyl)methyl]-5-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 121250918
N-(benzenesulfonyl)-5-[4-(difluoromethyl)phenyl]-2-[(2,6-dimethylphenyl)methyl]pyrazole-3-carboxamide
CID 121251078
N-(3-aminophenyl)sulfonyl-3-(2-fluoro-3-methylphenyl)-1-[(2,4,6-trimethylphenyl)methyl]pyrazole-5-carboxamide
CID 121251442
N-(benzenesulfonyl)-1-[(2,6-dimethylphenyl)methyl]-3-(4-fluorophenyl)pyrazole-5-carboxamide
CID 121251502
N-(benzenesulfonyl)-2-[(2,6-dimethylphenyl)methyl]-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 121252231

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The IUPAC name of 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide (CID 67662896) is 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide.
What is the SMILES notation for 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The canonical SMILES for 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide is CCCn1nc(C)c(C(N)=O)c1-c1ccc(-c2ccccc2S(=O)(=O)NC(=O)c2ccccc2)cc1C1CC1.
What is the InChIKey of 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide?
The InChIKey is VDXJNHHSCZGDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O4S/c1-3-17-34-28(27(29(31)35)19(2)32-34)24-16-15-22(18-25(24)20-13-14-20)23-11-7-8-12-26(23)39(37,38)33-30(36)21-9-5-4-6-10-21/h4-12,15-16,18,20H,3,13-14,17H2,1-2H3,(H2,31,35)(H,33,36).
What are the key properties of 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide?
5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide has a molecular weight of 542.66 g/mol, XLogP of 5.03, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(benzoylsulfamoyl)phenyl]-2-cyclopropylphenyl]-3-methyl-1-propylpyrazole-4-carboxamide is sourced from PubChem (CID 67662896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).