4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

C21H22N4O4S — CID 30683562

IUPAC4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H22N4O4S/c1-14-19(21(27)25(24(14)2)17-6-4-3-5-7-17)22-20(26)15-8-12-18(13-9-15)30(28,29)23-16-10-11-16/h3-9,12-13,16,23H,10-11H2,1-2H3,(H,22,26)
InChIKeyBYGJKYGUQAJLAT-UHFFFAOYSA-N
MW426.50 g/mol
LogP2.18
Rot. Bonds6

About 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide

4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (PubChem CID 30683562) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
PubChem CID30683562
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
SMILESCc1c(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C21H22N4O4S/c1-14-19(21(27)25(24(14)2)17-6-4-3-5-7-17)22-20(26)15-8-12-18(13-9-15)30(28,29)23-16-10-11-16/h3-9,12-13,16,23H,10-11H2,1-2H3,(H,22,26)
InChIKeyBYGJKYGUQAJLAT-UHFFFAOYSA-N
XLogP2.18
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-phenylbenzamide
CID 24643280
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 21924
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(prop-2-ynylsulfamoyl)benzamide
CID 33313715
4-[cyclohexyl(methyl)sulfamoyl]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 60617104
methyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]benzoate
CID 26908983
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(4-formylpiperazin-1-yl)sulfonylbenzamide
CID 19258218
N-(2-chlorophenyl)-4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzamide
CID 26574997
4-[benzenesulfonyl(methyl)amino]-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide
CID 1107853
4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-N-(3-methyl-2-pyridinyl)benzamide
CID 24687384
N-cyclopropyl-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzamide
CID 27537577
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(2S)-2-methylpiperidine-1-carbonyl]benzenesulfonamide
CID 25358875
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(2-methylpiperidine-1-carbonyl)benzenesulfonamide
CID 42910837

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide (CID 30683562) is 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is Cc1c(NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
The InChIKey is BYGJKYGUQAJLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-14-19(21(27)25(24(14)2)17-6-4-3-5-7-17)22-20(26)15-8-12-18(13-9-15)30(28,29)23-16-10-11-16/h3-9,12-13,16,23H,10-11H2,1-2H3,(H,22,26).
What are the key properties of 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide?
4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide has a molecular weight of 426.50 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylsulfamoyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 30683562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).