N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide

C11H19N3O2S — CID 54930254

IUPACN-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C11H19N3O2S/c1-9-11(8-12-14-9)17(15,16)13-7-10-5-3-2-4-6-10/h8,10,13H,2-7H2,1H3,(H,12,14)
InChIKeyBMPQSDDCMORILR-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.58
Rot. Bonds4

About N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide

N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 54930254) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide
PubChem CID54930254
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCCC1
InChIInChI=1S/C11H19N3O2S/c1-9-11(8-12-14-9)17(15,16)13-7-10-5-3-2-4-6-10/h8,10,13H,2-7H2,1H3,(H,12,14)
InChIKeyBMPQSDDCMORILR-UHFFFAOYSA-N
XLogP1.58
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-methyl-1H-pyrazole-4-sulfonamide
CID 60911472
5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61273846
5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61274028
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-3-(trifluoromethyl)piperidine
CID 61274482
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]-4-(trifluoromethyl)piperidine
CID 65531427
5-methyl-N-(4,4,4-trifluorobutyl)-1H-pyrazole-4-sulfonamide
CID 79040811
5-methyl-N-(5,5,5-trifluoropentyl)-1H-pyrazole-4-sulfonamide
CID 115486686
N-[(1-methylcyclopentyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 154843340
3-(pentan-2-yl)-1H-pyrazole-4-sulfonyl fluoride
CID 165474292
N-(cyclobutylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 166248586
N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 166248629

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide (CID 54930254) is N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC1CCCCC1.
What is the InChIKey of N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is BMPQSDDCMORILR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-9-11(8-12-14-9)17(15,16)13-7-10-5-3-2-4-6-10/h8,10,13H,2-7H2,1H3,(H,12,14).
What are the key properties of N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide?
N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-5-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54930254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).