5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

C13H22N4O3S — CID 65382203

IUPAC5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC(C)C(C)CNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-7(2)8(3)6-15-13(18)11-12(21(14,19)20)10(16-17-11)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyKVZVNSBITMNZLE-UHFFFAOYSA-N
MW314.41 g/mol
LogP0.96
Rot. Bonds6

About 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide

5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65382203) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65382203
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC(C)C(C)CNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-7(2)8(3)6-15-13(18)11-12(21(14,19)20)10(16-17-11)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyKVZVNSBITMNZLE-UHFFFAOYSA-N
XLogP0.96
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 50.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375951
5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382003
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 103465733
5-cyclopropyl-N-(2-ethoxyethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388559
5-cyclopropyl-3-(2-methoxypropylcarbamoyl)-1H-pyrazole-4-sulfonyl chloride
CID 102701092
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
4-amino-5-cyclopropyl-N-[(2S)-2-hydroxypropyl]-1H-pyrazole-3-carboxamide
CID 107211171
5-cyclopropyl-N-(cyclopropylmethyl)-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65389215
4-methylpentyl 5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 65381478
N-butyl-5-cyclopropyl-N-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373285
3-(2,3-dimethylbutylcarbamoyl)-5-propan-2-yl-1H-pyrazole-4-sulfonyl chloride
CID 65395941
4-amino-N-(3-amino-2-hydroxy-3-oxopropyl)-5-cyclopropyl-1H-pyrazole-3-carboxamide
CID 106163987

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65382203) is 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is CC(C)C(C)CNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O.
What is the InChIKey of 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is KVZVNSBITMNZLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-7(2)8(3)6-15-13(18)11-12(21(14,19)20)10(16-17-11)9-4-5-9/h7-9H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 0.96, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,3-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65382203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).