N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

C13H22N4O3S — CID 65387608

IUPACN-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC2CCCCC2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-9-12(21(14,19)20)11(17-16-9)13(18)15-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyBUTMNAKUATXXBS-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.07
Rot. Bonds5

About N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide

N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65387608) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65387608
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCc1[nH]nc(C(=O)NCCC2CCCCC2)c1S(N)(=O)=O
InChIInChI=1S/C13H22N4O3S/c1-9-12(21(14,19)20)11(17-16-9)13(18)15-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeyBUTMNAKUATXXBS-UHFFFAOYSA-N
XLogP1.07
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387454
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386706
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
5-methyl-4-sulfamoyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyrazole-3-carboxamide
CID 65386761
4-amino-5-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 114514855
5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
5-methyl-4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]-1H-pyrazole-3-carboxamide
CID 106219411
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
3-(azocane-1-carbonyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 65374466
5-methyl-N-(2-methylsulfinylpropyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 113484535
5-methyl-3-(2-methylpiperidine-1-carbonyl)-1H-pyrazole-4-sulfonamide
CID 65373616
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoylthiophene-2-carboxamide
CID 115612428

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65387608) is N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is Cc1[nH]nc(C(=O)NCCC2CCCCC2)c1S(N)(=O)=O.
What is the InChIKey of N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is BUTMNAKUATXXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-9-12(21(14,19)20)11(17-16-9)13(18)15-8-7-10-5-3-2-4-6-10/h10H,2-8H2,1H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 1.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).