methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate

C13H18F3N3O2 — CID 79634264

IUPACmethyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O2/c1-17-12(11(20)21-2)6-3-4-9(8-12)19-7-5-10(18-19)13(14,15)16/h5,7,9,17H,3-4,6,8H2,1-2H3
InChIKeyOTJPZYAYVNOITG-UHFFFAOYSA-N
MW305.30 g/mol
LogP2.15
Rot. Bonds3

About methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate

methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate (PubChem CID 79634264) has the molecular formula C13H18F3N3O2 and a molecular weight of 305.30 g/mol. Its IUPAC name is methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
PubChem CID79634264
Molecular FormulaC13H18F3N3O2
Molecular Weight305.30 g/mol
Exact Mass305.14
IUPAC Namemethyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCNC1(C(=O)OC)CCCC(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C13H18F3N3O2/c1-17-12(11(20)21-2)6-3-4-9(8-12)19-7-5-10(18-19)13(14,15)16/h5,7,9,17H,3-4,6,8H2,1-2H3
InChIKeyOTJPZYAYVNOITG-UHFFFAOYSA-N
XLogP2.15
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate 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 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate (CID 79634264) is methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate is CNC1(C(=O)OC)CCCC(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
The InChIKey is OTJPZYAYVNOITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3O2/c1-17-12(11(20)21-2)6-3-4-9(8-12)19-7-5-10(18-19)13(14,15)16/h5,7,9,17H,3-4,6,8H2,1-2H3.
What are the key properties of methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate has a molecular weight of 305.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(methylamino)-3-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 79634264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).