2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid

C11H13F3N2O2 — CID 63075320

IUPAC2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-5-6-16(15-9)8-4-2-1-3-7(8)10(17)18/h5-8H,1-4H2,(H,17,18)
InChIKeyLIOBJGITLDQMJA-UHFFFAOYSA-N
MW262.23 g/mol
LogP2.72
Rot. Bonds2

About 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid

2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 63075320) has the molecular formula C11H13F3N2O2 and a molecular weight of 262.23 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID63075320
Molecular FormulaC11H13F3N2O2
Molecular Weight262.23 g/mol
Exact Mass262.09
IUPAC Name2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCCC1n1ccc(C(F)(F)F)n1
InChIInChI=1S/C11H13F3N2O2/c12-11(13,14)9-5-6-16(15-9)8-4-2-1-3-7(8)10(17)18/h5-8H,1-4H2,(H,17,18)
InChIKeyLIOBJGITLDQMJA-UHFFFAOYSA-N
XLogP2.72
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (CID 63075320) is 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCCCC1n1ccc(C(F)(F)F)n1.
What is the InChIKey of 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is LIOBJGITLDQMJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O2/c12-11(13,14)9-5-6-16(15-9)8-4-2-1-3-7(8)10(17)18/h5-8H,1-4H2,(H,17,18).
What are the key properties of 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 262.23 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63075320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).