3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide

C18H25N3O2S — CID 19681996

IUPAC3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C18H25N3O2S/c1-13-9-7-8-12-17(13)20-24(22,23)18-14(2)19-21(15(18)3)16-10-5-4-6-11-16/h4-6,10-11,13,17,20H,7-9,12H2,1-3H3
InChIKeyGGJXRDQFWSNVGG-UHFFFAOYSA-N
MW347.48 g/mol
LogP3.35
Rot. Bonds4

About 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide

3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide (PubChem CID 19681996) has the molecular formula C18H25N3O2S and a molecular weight of 347.48 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide
PubChem CID19681996
Molecular FormulaC18H25N3O2S
Molecular Weight347.48 g/mol
Exact Mass347.17
IUPAC Name3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide
SMILESCc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC1CCCCC1C
InChIInChI=1S/C18H25N3O2S/c1-13-9-7-8-12-17(13)20-24(22,23)18-14(2)19-21(15(18)3)16-10-5-4-6-11-16/h4-6,10-11,13,17,20H,7-9,12H2,1-3H3
InChIKeyGGJXRDQFWSNVGG-UHFFFAOYSA-N
XLogP3.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclohexyl-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 19681094
N-(4-ethylcyclohexyl)-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 22772410
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 9272967
N-[(1R,5R,6S,7R)-6-amino-2-oxabicyclo[3.2.0]heptan-7-yl]-3,5-dimethyl-1-phenylpyrazole-4-sulfonamide
CID 91768269
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)benzenesulfonamide
CID 972247
cis-(1R,2S)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-hydroxycyclohexane-1-sulfonamide
CID 95702971
(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methyl-[2-[[(1S,2S)-2-methylcyclohexyl]amino]-2-oxoethyl]azanium
CID 11932706
N-[(1S,2S)-2-hydroxycyclohexyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 104953256
3,5-dimethyl-1-phenyl-N-prop-2-enylpyrazole-4-sulfonamide
CID 19681810
[(2R)-1-[[(1R,2S)-2-methylcyclohexyl]amino]-1-oxopropan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate
CID 11929976
1-tert-butyl-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-3,5-dimethylpyrazole-4-sulfonamide
CID 86934783
3,5-dimethyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-sulfonamide
CID 19682095

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide?
The IUPAC name of 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide (CID 19681996) is 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide?
The canonical SMILES for 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide is Cc1nn(-c2ccccc2)c(C)c1S(=O)(=O)NC1CCCCC1C.
What is the InChIKey of 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide?
The InChIKey is GGJXRDQFWSNVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O2S/c1-13-9-7-8-12-17(13)20-24(22,23)18-14(2)19-21(15(18)3)16-10-5-4-6-11-16/h4-6,10-11,13,17,20H,7-9,12H2,1-3H3.
What are the key properties of 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide?
3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide has a molecular weight of 347.48 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-methylcyclohexyl)-1-phenylpyrazole-4-sulfonamide is sourced from PubChem (CID 19681996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).