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

C11H19N3O2S — CID 47265979

IUPACN-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-14(9-10-5-3-2-4-6-10)17(15,16)11-7-12-13-8-11/h7-8,10H,2-6,9H2,1H3,(H,12,13)
InChIKeyWZAJALCCUONZIQ-UHFFFAOYSA-N
MW257.36 g/mol
LogP1.61
Rot. Bonds4

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

N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide (PubChem CID 47265979) has the molecular formula C11H19N3O2S and a molecular weight of 257.36 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
PubChem CID47265979
Molecular FormulaC11H19N3O2S
Molecular Weight257.36 g/mol
Exact Mass257.12
IUPAC NameN-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide
SMILESCN(CC1CCCCC1)S(=O)(=O)c1cn[nH]c1
InChIInChI=1S/C11H19N3O2S/c1-14(9-10-5-3-2-4-6-10)17(15,16)11-7-12-13-8-11/h7-8,10H,2-6,9H2,1H3,(H,12,13)
InChIKeyWZAJALCCUONZIQ-UHFFFAOYSA-N
XLogP1.61
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-1-ethyl-1H-pyrazole-4-sulfonamide
CID 6470748
rac-(1R,5S)-3-(1H-pyrazol-4-ylsulfonyl)-3-azabicyclo[3.2.1]octane
CID 131898755
N-({1-[ethyl(methyl)amino]cyclohexyl}methyl)-1H-pyrazole-4-sulfonamide
CID 131950420
N-[4-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 47363941
N-[2-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61274030
1-(1H-pyrazol-4-ylsulfonyl)-3-(trifluoromethyl)piperidine
CID 61274671
N-[3-(trifluoromethyl)cyclohexyl]-1H-pyrazole-4-sulfonamide
CID 61275607
1-(1H-pyrazol-4-ylsulfonyl)-4-(trifluoromethyl)piperidine
CID 65530849
1-(1H-pyrazole-4-sulfonyl)piperidine
CID 60911037
2-ethyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60911158
4-methyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 60911289
4-tert-butyl-1-(1H-pyrazol-4-ylsulfonyl)piperidine
CID 62085445

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide (CID 47265979) is N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide is CN(CC1CCCCC1)S(=O)(=O)c1cn[nH]c1.
What is the InChIKey of N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
The InChIKey is WZAJALCCUONZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2S/c1-14(9-10-5-3-2-4-6-10)17(15,16)11-7-12-13-8-11/h7-8,10H,2-6,9H2,1H3,(H,12,13).
What are the key properties of N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide?
N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide has a molecular weight of 257.36 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-methyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 47265979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).