N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C13H22N4O3S — CID 65388696

IUPACN-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC(CC1CC1)NC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-7(2)10-12(21(14,19)20)11(17-16-10)13(18)15-8(3)6-9-4-5-9/h7-9H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyKNCZXECWFFFMRF-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.10
Rot. Bonds6

About N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65388696) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65388696
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCC(CC1CC1)NC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-7(2)10-12(21(14,19)20)11(17-16-10)13(18)15-8(3)6-9-4-5-9/h7-9H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyKNCZXECWFFFMRF-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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Related Compounds

N-(1-cyclopropylpropan-2-yl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388879
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
2-cyclobutylethyl 5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxylate
CID 106207163
5-cyclopropyl-N-(4-methoxybutan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65382003
N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373238
N-(2-methoxy-2-methylpropyl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 104766756
N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388449
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
N-(1-cyclopropylpropan-2-yl)-4-sulfamoyl-1H-pyrrole-2-carboxamide
CID 65387153
N-(1-cyclopropylpropan-2-yl)-1-propan-2-yl-4-sulfamoylpyrrole-2-carboxamide
CID 114612374
4-bromo-N-(1-cyclopropylpropan-2-yl)-2-fluoro-5-sulfamoylbenzamide
CID 65388695

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65388696) is N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CC(CC1CC1)NC(=O)c1n[nH]c(C(C)C)c1S(N)(=O)=O.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is KNCZXECWFFFMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-7(2)10-12(21(14,19)20)11(17-16-10)13(18)15-8(3)6-9-4-5-9/h7-9H,4-6H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-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 N-(1-cyclopropylpropan-2-yl)-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65388696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).