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

C14H19F3N2O2 — CID 63072715

IUPAC4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H19F3N2O2/c1-2-3-9-4-5-10(13(20)21)11(8-9)19-7-6-12(18-19)14(15,16)17/h6-7,9-11H,2-5,8H2,1H3,(H,20,21)
InChIKeyNYBCYFUPITUMBE-UHFFFAOYSA-N
MW304.31 g/mol
LogP3.74
Rot. Bonds4

About 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid

4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (PubChem CID 63072715) has the molecular formula C14H19F3N2O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
PubChem CID63072715
Molecular FormulaC14H19F3N2O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC Name4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid
SMILESCCCC1CCC(C(=O)O)C(n2ccc(C(F)(F)F)n2)C1
InChIInChI=1S/C14H19F3N2O2/c1-2-3-9-4-5-10(13(20)21)11(8-9)19-7-6-12(18-19)14(15,16)17/h6-7,9-11H,2-5,8H2,1H3,(H,20,21)
InChIKeyNYBCYFUPITUMBE-UHFFFAOYSA-N
XLogP3.74
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid (CID 63072715) is 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is CCCC1CCC(C(=O)O)C(n2ccc(C(F)(F)F)n2)C1.
What is the InChIKey of 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
The InChIKey is NYBCYFUPITUMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2/c1-2-3-9-4-5-10(13(20)21)11(8-9)19-7-6-12(18-19)14(15,16)17/h6-7,9-11H,2-5,8H2,1H3,(H,20,21).
What are the key properties of 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid?
4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid has a molecular weight of 304.31 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-2-[3-(trifluoromethyl)pyrazol-1-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63072715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).