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

C13H22N4O3S — CID 103465733

IUPAC5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-4-13(2,3)7-15-12(18)10-11(21(14,19)20)9(16-17-10)8-5-6-8/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyAMBDJFMFHGGDNP-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.10
Rot. Bonds6

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

5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 103465733) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID103465733
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC Name5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCC(C)(C)CNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-4-13(2,3)7-15-12(18)10-11(21(14,19)20)9(16-17-10)8-5-6-8/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyAMBDJFMFHGGDNP-UHFFFAOYSA-N
XLogP1.10
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 ≤ 51.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 103465733) is 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCC(C)(C)CNC(=O)c1n[nH]c(C2CC2)c1S(N)(=O)=O.
What is the InChIKey of 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is AMBDJFMFHGGDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-4-13(2,3)7-15-12(18)10-11(21(14,19)20)9(16-17-10)8-5-6-8/h8H,4-7H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide?
5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 1.10, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2,2-dimethylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 103465733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).