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

C13H17F3N2O2 — CID 156823400

IUPACethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(n2ccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C13H17F3N2O2/c1-2-20-11(19)12(7-4-3-5-8-12)18-9-6-10(17-18)13(14,15)16/h6,9H,2-5,7-8H2,1H3
InChIKeyLYNUBKVTNXWSCL-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.12
Rot. Bonds3

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

ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate (PubChem CID 156823400) has the molecular formula C13H17F3N2O2 and a molecular weight of 290.29 g/mol. Its IUPAC name is ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
PubChem CID156823400
Molecular FormulaC13H17F3N2O2
Molecular Weight290.29 g/mol
Exact Mass290.12
IUPAC Nameethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1(n2ccc(C(F)(F)F)n2)CCCCC1
InChIInChI=1S/C13H17F3N2O2/c1-2-20-11(19)12(7-4-3-5-8-12)18-9-6-10(17-18)13(14,15)16/h6,9H,2-5,7-8H2,1H3
InChIKeyLYNUBKVTNXWSCL-UHFFFAOYSA-N
XLogP3.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 1-[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

Related Compounds

1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxylic acid
CID 114989809
1-[3-(Trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
CID 137832393
methyl (2S)-3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 58437089
methyl (2S)-3-cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233404
methyl (2S)-3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233409
methyl (2S)-3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 59233416
Methyl 3-cyclopentyl-2-[3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67130796
Methyl 3-cyclopentyl-2-[5-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67313358
Methyl 3-cyclopentyl-2-[3-methyl-4-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67313372
Methyl 3-cyclopentyl-2-[4-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanoate
CID 67388027
ethyl 4-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)pentanoate
CID 71186683
ethyl 3-methyl-2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)butanoate
CID 71186689

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate (CID 156823400) is ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate is CCOC(=O)C1(n2ccc(C(F)(F)F)n2)CCCCC1.
What is the InChIKey of ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
The InChIKey is LYNUBKVTNXWSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2/c1-2-20-11(19)12(7-4-3-5-8-12)18-9-6-10(17-18)13(14,15)16/h6,9H,2-5,7-8H2,1H3.
What are the key properties of ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate?
ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate has a molecular weight of 290.29 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylate is sourced from PubChem (CID 156823400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).