5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide

C12H21N3O2S — CID 55012230

IUPAC5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCCC1C
InChIInChI=1S/C12H21N3O2S/c1-9-5-3-4-6-11(9)7-14-18(16,17)12-8-13-15-10(12)2/h8-9,11,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyIHWNNEGLYALGQX-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.82
Rot. Bonds4

About 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide

5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide (PubChem CID 55012230) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
PubChem CID55012230
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide
SMILESCc1[nH]ncc1S(=O)(=O)NCC1CCCCC1C
InChIInChI=1S/C12H21N3O2S/c1-9-5-3-4-6-11(9)7-14-18(16,17)12-8-13-15-10(12)2/h8-9,11,14H,3-7H2,1-2H3,(H,13,15)
InChIKeyIHWNNEGLYALGQX-UHFFFAOYSA-N
XLogP1.82
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61273846
5-methyl-N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61274028
5-methyl-N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275605
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
N-[(2,2-dimethylcyclopropyl)methyl]-5-(trifluoromethyl)-1H-pyrazole-4-sulfonamide
CID 166248629
N-(cyclohexylmethyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19684290
N,N-dimethyl-1-[1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidin-4-yl]methanamine
CID 54877014
4-ethyl-1-[(5-methyl-1H-pyrazol-4-yl)sulfonyl]piperidine
CID 54877065
N-[(4-ethylcyclohexyl)methyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 54881377
5-methyl-N-(oxan-3-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54905709
N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 54907288

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide (CID 55012230) is 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide is Cc1[nH]ncc1S(=O)(=O)NCC1CCCCC1C.
What is the InChIKey of 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
The InChIKey is IHWNNEGLYALGQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-9-5-3-4-6-11(9)7-14-18(16,17)12-8-13-15-10(12)2/h8-9,11,14H,3-7H2,1-2H3,(H,13,15).
What are the key properties of 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide?
5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide has a molecular weight of 271.39 g/mol, XLogP of 1.82, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(2-methylcyclohexyl)methyl]-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 55012230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).