N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide

C12H21N3O2S — CID 19684290

IUPACN-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CCCCC2)cnn1C
InChIInChI=1S/C12H21N3O2S/c1-10-12(9-13-15(10)2)18(16,17)14-8-11-6-4-3-5-7-11/h9,11,14H,3-8H2,1-2H3
InChIKeyZIUZFQXMRINOAY-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.59
Rot. Bonds4

About N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide

N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide (PubChem CID 19684290) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
PubChem CID19684290
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC NameN-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)NCC2CCCCC2)cnn1C
InChIInChI=1S/C12H21N3O2S/c1-10-12(9-13-15(10)2)18(16,17)14-8-11-6-4-3-5-7-11/h9,11,14H,3-8H2,1-2H3
InChIKeyZIUZFQXMRINOAY-UHFFFAOYSA-N
XLogP1.59
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(cyclohexylmethyl)-1,5-dimethylpyrazole-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

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide (CID 19684290) is N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide is Cc1c(S(=O)(=O)NCC2CCCCC2)cnn1C.
What is the InChIKey of N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is ZIUZFQXMRINOAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-10-12(9-13-15(10)2)18(16,17)14-8-11-6-4-3-5-7-11/h9,11,14H,3-8H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide?
N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 19684290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).