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

C13H18F3N3O2 — CID 122633603

IUPACmethyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)CC1
InChIInChI=1S/C13H18F3N3O2/c1-8-7-11(13(14,15)16)18-19(8)10-5-3-9(4-6-10)17-12(20)21-2/h7,9-10H,3-6H2,1-2H3,(H,17,20)
InChIKeyQQVBSWJSCQQUPI-UHFFFAOYSA-N
MW305.30 g/mol
LogP3.05
Rot. Bonds2

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

methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate (PubChem CID 122633603) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate.

Molecular Properties

Compound Namemethyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
PubChem CID122633603
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Namemethyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate
SMILESCOC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)CC1
InChIInChI=1S/C13H18F3N3O2/c1-8-7-11(13(14,15)16)18-19(8)10-5-3-9(4-6-10)17-12(20)21-2/h7,9-10H,3-6H2,1-2H3,(H,17,20)
InChIKeyQQVBSWJSCQQUPI-UHFFFAOYSA-N
XLogP3.05
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
The IUPAC name of methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate (CID 122633603) is methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate.
What is the SMILES notation for methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
The canonical SMILES for methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate is COC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C)CC1.
What is the InChIKey of methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
The InChIKey is QQVBSWJSCQQUPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-8-7-11(13(14,15)16)18-19(8)10-5-3-9(4-6-10)17-12(20)21-2/h7,9-10H,3-6H2,1-2H3,(H,17,20).
What are the key properties of methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate?
methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate has a molecular weight of 305.30 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexyl]carbamate is sourced from PubChem (CID 122633603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).