1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine

C15H24F3N3O2S — CID 123273960

IUPAC1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCS(=O)(=O)CC1CCC(Cn2nc(C(F)(F)F)c(N)c2C)CC1
InChIInChI=1S/C15H24F3N3O2S/c1-3-24(22,23)9-12-6-4-11(5-7-12)8-21-10(2)13(19)14(20-21)15(16,17)18/h11-12H,3-9,19H2,1-2H3
InChIKeyAQNWBTRCCTYFEG-UHFFFAOYSA-N
MW367.44 g/mol
LogP3.03
Rot. Bonds5

About 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine

1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine (PubChem CID 123273960) has the molecular formula C15H24F3N3O2S and a molecular weight of 367.44 g/mol. Its IUPAC name is 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine.

Molecular Properties

Compound Name1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
PubChem CID123273960
Molecular FormulaC15H24F3N3O2S
Molecular Weight367.44 g/mol
Exact Mass367.15
IUPAC Name1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine
SMILESCCS(=O)(=O)CC1CCC(Cn2nc(C(F)(F)F)c(N)c2C)CC1
InChIInChI=1S/C15H24F3N3O2S/c1-3-24(22,23)9-12-6-4-11(5-7-12)8-21-10(2)13(19)14(20-21)15(16,17)18/h11-12H,3-9,19H2,1-2H3
InChIKeyAQNWBTRCCTYFEG-UHFFFAOYSA-N
XLogP3.03
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.44
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The IUPAC name of 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine (CID 123273960) is 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine.
What is the SMILES notation for 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The canonical SMILES for 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine is CCS(=O)(=O)CC1CCC(Cn2nc(C(F)(F)F)c(N)c2C)CC1.
What is the InChIKey of 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
The InChIKey is AQNWBTRCCTYFEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3N3O2S/c1-3-24(22,23)9-12-6-4-11(5-7-12)8-21-10(2)13(19)14(20-21)15(16,17)18/h11-12H,3-9,19H2,1-2H3.
What are the key properties of 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine?
1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine has a molecular weight of 367.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(ethylsulfonylmethyl)cyclohexyl]methyl]-5-methyl-3-(trifluoromethyl)pyrazol-4-amine is sourced from PubChem (CID 123273960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).