1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C11H15F3N2O — CID 64756732

IUPAC1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1nccc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-16-9(4-7-15-16)10(17)5-2-8(3-6-10)11(12,13)14/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeyAYKACOWCHNGCDF-UHFFFAOYSA-N
MW248.25 g/mol
LogP2.36
Rot. Bonds1

About 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64756732) has the molecular formula C11H15F3N2O and a molecular weight of 248.25 g/mol. Its IUPAC name is 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64756732
Molecular FormulaC11H15F3N2O
Molecular Weight248.25 g/mol
Exact Mass248.11
IUPAC Name1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCn1nccc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H15F3N2O/c1-16-9(4-7-15-16)10(17)5-2-8(3-6-10)11(12,13)14/h4,7-8,17H,2-3,5-6H2,1H3
InChIKeyAYKACOWCHNGCDF-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 64756732) is 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is Cn1nccc1C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is AYKACOWCHNGCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2O/c1-16-9(4-7-15-16)10(17)5-2-8(3-6-10)11(12,13)14/h4,7-8,17H,2-3,5-6H2,1H3.
What are the key properties of 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 248.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64756732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).