2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

C14H21F3N2O — CID 105106374

IUPAC2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCc1cc(CC(O)C2CCCC(C(F)(F)F)C2)n(C)n1
InChIInChI=1S/C14H21F3N2O/c1-9-6-12(19(2)18-9)8-13(20)10-4-3-5-11(7-10)14(15,16)17/h6,10-11,13,20H,3-5,7-8H2,1-2H3
InChIKeySLUSUNMFRLRDME-UHFFFAOYSA-N
MW290.33 g/mol
LogP3.00
Rot. Bonds3

About 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol

2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (PubChem CID 105106374) has the molecular formula C14H21F3N2O and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.

Molecular Properties

Compound Name2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
PubChem CID105106374
Molecular FormulaC14H21F3N2O
Molecular Weight290.33 g/mol
Exact Mass290.16
IUPAC Name2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol
SMILESCc1cc(CC(O)C2CCCC(C(F)(F)F)C2)n(C)n1
InChIInChI=1S/C14H21F3N2O/c1-9-6-12(19(2)18-9)8-13(20)10-4-3-5-11(7-10)14(15,16)17/h6,10-11,13,20H,3-5,7-8H2,1-2H3
InChIKeySLUSUNMFRLRDME-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The IUPAC name of 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol (CID 105106374) is 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol.
What is the SMILES notation for 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The canonical SMILES for 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is Cc1cc(CC(O)C2CCCC(C(F)(F)F)C2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
The InChIKey is SLUSUNMFRLRDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N2O/c1-9-6-12(19(2)18-9)8-13(20)10-4-3-5-11(7-10)14(15,16)17/h6,10-11,13,20H,3-5,7-8H2,1-2H3.
What are the key properties of 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol?
2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol has a molecular weight of 290.33 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylpyrazol-3-yl)-1-[3-(trifluoromethyl)cyclohexyl]ethanol is sourced from PubChem (CID 105106374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).