N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

C13H23N3O2S — CID 54907288

IUPACN-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O2S/c1-4-11-5-7-12(8-6-11)16(3)19(17,18)13-9-14-15-10(13)2/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyVUXHHGTVLRTBGT-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.31
Rot. Bonds4

About N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide

N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (PubChem CID 54907288) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
PubChem CID54907288
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide
SMILESCCC1CCC(N(C)S(=O)(=O)c2cn[nH]c2C)CC1
InChIInChI=1S/C13H23N3O2S/c1-4-11-5-7-12(8-6-11)16(3)19(17,18)13-9-14-15-10(13)2/h9,11-12H,4-8H2,1-3H3,(H,14,15)
InChIKeyVUXHHGTVLRTBGT-UHFFFAOYSA-N
XLogP2.31
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 54877118
N-(1-cyclopropylethyl)-5-methyl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959231
5-methyl-N-pentan-3-yl-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
CID 60959940
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
4-(2-ethyl-3-methylpyrrolidin-1-yl)sulfonyl-5-(trifluoromethyl)-1H-pyrazole
CID 137835958
[(1,3-Dimethylpyrazol-4-yl)sulfonyl](4-methylcyclohexyl)amine
CID 17377844
N-(2-ethylhexyl)-1,5-dimethylpyrazole-4-sulfonamide
CID 19681666
1,3-dimethyl-N-(2-methylcyclohexyl)pyrazole-4-sulfonamide
CID 19681991

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The IUPAC name of N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide (CID 54907288) is N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The canonical SMILES for N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is CCC1CCC(N(C)S(=O)(=O)c2cn[nH]c2C)CC1.
What is the InChIKey of N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
The InChIKey is VUXHHGTVLRTBGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-4-11-5-7-12(8-6-11)16(3)19(17,18)13-9-14-15-10(13)2/h9,11-12H,4-8H2,1-3H3,(H,14,15).
What are the key properties of N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide?
N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide has a molecular weight of 285.41 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylcyclohexyl)-N,5-dimethyl-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 54907288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).