4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide

C19H22N6O4S — CID 19585255

IUPAC4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(NC(=O)CCS(=O)(=O)c3ccccc3)cnn2C)cnn1C
InChIInChI=1S/C19H22N6O4S/c1-13-15(11-20-24(13)2)23-19(27)18-16(12-21-25(18)3)22-17(26)9-10-30(28,29)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNLMGHMQLPFQNMA-UHFFFAOYSA-N
MW430.49 g/mol
LogP1.52
Rot. Bonds7

About 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide

4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide (PubChem CID 19585255) has the molecular formula C19H22N6O4S and a molecular weight of 430.49 g/mol. Its IUPAC name is 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
PubChem CID19585255
Molecular FormulaC19H22N6O4S
Molecular Weight430.49 g/mol
Exact Mass430.14
IUPAC Name4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
SMILESCc1c(NC(=O)c2c(NC(=O)CCS(=O)(=O)c3ccccc3)cnn2C)cnn1C
InChIInChI=1S/C19H22N6O4S/c1-13-15(11-20-24(13)2)23-19(27)18-16(12-21-25(18)3)22-17(26)9-10-30(28,29)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,22,26)(H,23,27)
InChIKeyNLMGHMQLPFQNMA-UHFFFAOYSA-N
XLogP1.52
TPSA127.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.49
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(3-methylbenzoyl)amino]pyrazole-5-carboxamide
CID 19411137
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[3-(3-nitropyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19566046
N-(1,5-dimethylpyrazol-4-yl)-4-[(1,5-dimethylpyrazol-4-yl)sulfonylamino]-1-methylpyrazole-5-carboxamide
CID 17022672
5-[(1,5-dimethylpyrazol-4-yl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19494189
N-(1,5-dimethylpyrazol-4-yl)-1-methyl-4-[(2-nitrobenzoyl)amino]pyrazole-5-carboxamide
CID 19411125
3-(benzenesulfonyl)-N-(2,4-dimethylphenyl)propanamide
CID 17310093
4-amino-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 7017546
4-[3-(4-bromo-3-nitropyrazol-1-yl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide
CID 19567947
N-(1,5-dimethylpyrazol-4-yl)-1-ethyl-4-[3-(3-methylpyrazol-1-yl)propanoylamino]pyrazole-5-carboxamide
CID 19559513
N-(1,5-dimethylpyrazol-4-yl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555805
N-(2-aminophenyl)-3-(benzenesulfonyl)propanamide
CID 43444138

Frequently Asked Questions

What is the IUPAC name of 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide (CID 19585255) is 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide is Cc1c(NC(=O)c2c(NC(=O)CCS(=O)(=O)c3ccccc3)cnn2C)cnn1C.
What is the InChIKey of 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
The InChIKey is NLMGHMQLPFQNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O4S/c1-13-15(11-20-24(13)2)23-19(27)18-16(12-21-25(18)3)22-17(26)9-10-30(28,29)14-7-5-4-6-8-14/h4-8,11-12H,9-10H2,1-3H3,(H,22,26)(H,23,27).
What are the key properties of 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide?
4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide has a molecular weight of 430.49 g/mol, XLogP of 1.52, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(benzenesulfonyl)propanoylamino]-N-(1,5-dimethylpyrazol-4-yl)-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19585255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).