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

C12H18F3N3O2S — CID 122633564

IUPACN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCc1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H18F3N3O2S/c1-8-7-11(12(13,14)15)16-18(8)10-5-3-9(4-6-10)17-21(2,19)20/h7,9-10,17H,3-6H2,1-2H3
InChIKeyNVMKJGQJFHOMTF-UHFFFAOYSA-N
MW325.36 g/mol
LogP2.24
Rot. Bonds3

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

N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide (PubChem CID 122633564) has the molecular formula C12H18F3N3O2S and a molecular weight of 325.36 g/mol. Its IUPAC name is N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide
PubChem CID122633564
Molecular FormulaC12H18F3N3O2S
Molecular Weight325.36 g/mol
Exact Mass325.11
IUPAC NameN-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide
SMILESCc1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)CC1
InChIInChI=1S/C12H18F3N3O2S/c1-8-7-11(12(13,14)15)16-18(8)10-5-3-9(4-6-10)17-21(2,19)20/h7,9-10,17H,3-6H2,1-2H3
InChIKeyNVMKJGQJFHOMTF-UHFFFAOYSA-N
XLogP2.24
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The IUPAC name of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide (CID 122633564) is N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide.
What is the SMILES notation for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The canonical SMILES for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide is Cc1cc(C(F)(F)F)nn1C1CCC(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
The InChIKey is NVMKJGQJFHOMTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3O2S/c1-8-7-11(12(13,14)15)16-18(8)10-5-3-9(4-6-10)17-21(2,19)20/h7,9-10,17H,3-6H2,1-2H3.
What are the key properties of N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide?
N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide has a molecular weight of 325.36 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]methanesulfonamide is sourced from PubChem (CID 122633564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).