N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C13H24N4O3S — CID 65388449

IUPACN-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCC(C)NC(=O)c1n[nH]c(CCC)c1S(N)(=O)=O
InChIInChI=1S/C13H24N4O3S/c1-4-6-8-9(3)15-13(18)11-12(21(14,19)20)10(7-5-2)16-17-11/h9H,4-8H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyMJXFRHGOYPCCEK-UHFFFAOYSA-N
MW316.43 g/mol
LogP1.32
Rot. Bonds8

About N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65388449) has the molecular formula C13H24N4O3S and a molecular weight of 316.43 g/mol. Its IUPAC name is N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65388449
Molecular FormulaC13H24N4O3S
Molecular Weight316.43 g/mol
Exact Mass316.16
IUPAC NameN-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCCCC(C)NC(=O)c1n[nH]c(CCC)c1S(N)(=O)=O
InChIInChI=1S/C13H24N4O3S/c1-4-6-8-9(3)15-13(18)11-12(21(14,19)20)10(7-5-2)16-17-11/h9H,4-8H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyMJXFRHGOYPCCEK-UHFFFAOYSA-N
XLogP1.32
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.43
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-butan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373238
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
N-ethyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373266
N-methyl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65375401
5-ethyl-N-(4-methylpentan-2-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387211
3-(butan-2-ylcarbamoyl)-5-propyl-1H-pyrazole-4-sulfonyl chloride
CID 65368759
N-(2,2-dimethylpropyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387817
4-amino-N-(5-methylhexan-2-yl)-5-propyl-1H-pyrazole-3-carboxamide
CID 55034501
N-(1-cyclopropylpropan-2-yl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65388879
N-(2-ethoxyethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386835
N-butyl-5-propan-2-yl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65373634
N-(oxolan-2-ylmethyl)-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374367

Frequently Asked Questions

What is the IUPAC name of N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65388449) is N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCCCC(C)NC(=O)c1n[nH]c(CCC)c1S(N)(=O)=O.
What is the InChIKey of N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is MJXFRHGOYPCCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3S/c1-4-6-8-9(3)15-13(18)11-12(21(14,19)20)10(7-5-2)16-17-11/h9H,4-8H2,1-3H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 316.43 g/mol, XLogP of 1.32, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexan-2-yl-5-propyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65388449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).