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

C13H22N4O3S — CID 65387454

IUPACN-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCC(NC(=O)c2n[nH]c(C)c2S(N)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-3-9-4-6-10(7-5-9)15-13(18)11-12(21(14,19)20)8(2)16-17-11/h9-10H,3-7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeySQVDKFYFZOQFOU-UHFFFAOYSA-N
MW314.41 g/mol
LogP1.06
Rot. Bonds4

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

N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (PubChem CID 65387454) has the molecular formula C13H22N4O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
PubChem CID65387454
Molecular FormulaC13H22N4O3S
Molecular Weight314.41 g/mol
Exact Mass314.14
IUPAC NameN-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
SMILESCCC1CCC(NC(=O)c2n[nH]c(C)c2S(N)(=O)=O)CC1
InChIInChI=1S/C13H22N4O3S/c1-3-9-4-6-10(7-5-9)15-13(18)11-12(21(14,19)20)8(2)16-17-11/h9-10H,3-7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20)
InChIKeySQVDKFYFZOQFOU-UHFFFAOYSA-N
XLogP1.06
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-cyclohexylethyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387608
4-amino-N-(3-ethylcyclohexyl)-5-methyl-1H-pyrazole-3-carboxamide
CID 64747408
3-[(4,4-dimethylcyclohexyl)carbamoyl]-5-methyl-1H-pyrazole-4-sulfonyl chloride
CID 65398616
5-methyl-N-(oxan-3-ylmethyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386706
5-methyl-N-(2-methylbutyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387504
4-amino-N-cyclopentyl-5-methyl-1H-pyrazole-3-carboxamide
CID 62081203
5-methyl-N-(4-methylpentyl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65386939
N-cyclohexyl-5-cyclopropyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65374364
5-ethyl-N-(oxolan-3-yl)-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 80715628
4-amino-N-(1-ethylpiperidin-4-yl)-5-methyl-1H-pyrazole-3-carboxamide
CID 62082306
N-heptan-2-yl-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 65387069
N-(3,3-dimethylcyclopentyl)-5-ethyl-4-sulfamoyl-1H-pyrazole-3-carboxamide
CID 114551581

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide (CID 65387454) is N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is CCC1CCC(NC(=O)c2n[nH]c(C)c2S(N)(=O)=O)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
The InChIKey is SQVDKFYFZOQFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O3S/c1-3-9-4-6-10(7-5-9)15-13(18)11-12(21(14,19)20)8(2)16-17-11/h9-10H,3-7H2,1-2H3,(H,15,18)(H,16,17)(H2,14,19,20).
What are the key properties of N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide?
N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide has a molecular weight of 314.41 g/mol, XLogP of 1.06, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-5-methyl-4-sulfamoyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 65387454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).