N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide

C14H22F3N3O2S — CID 134331563

IUPACN-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H22F3N3O2S/c1-9(2)12-8-13(14(15,16)17)18-20(12)11-6-4-10(5-7-11)19-23(3,21)22/h8-11,19H,4-7H2,1-3H3
InChIKeyJJMZNMQRLMXLTI-UHFFFAOYSA-N
MW353.41 g/mol
LogP3.06
Rot. Bonds4

About N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide

N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide (PubChem CID 134331563) has the molecular formula C14H22F3N3O2S and a molecular weight of 353.41 g/mol. Its IUPAC name is N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide
PubChem CID134331563
Molecular FormulaC14H22F3N3O2S
Molecular Weight353.41 g/mol
Exact Mass353.14
IUPAC NameN-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCC(C)c1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C14H22F3N3O2S/c1-9(2)12-8-13(14(15,16)17)18-20(12)11-6-4-10(5-7-11)19-23(3,21)22/h8-11,19H,4-7H2,1-3H3
InChIKeyJJMZNMQRLMXLTI-UHFFFAOYSA-N
XLogP3.06
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide (CID 134331563) is N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide is CC(C)c1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The InChIKey is JJMZNMQRLMXLTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3O2S/c1-9(2)12-8-13(14(15,16)17)18-20(12)11-6-4-10(5-7-11)19-23(3,21)22/h8-11,19H,4-7H2,1-3H3.
What are the key properties of N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide has a molecular weight of 353.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 134331563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).