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

C12H17F3N2O — CID 64754105

IUPAC1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1nccc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-2-17-10(5-8-16-17)11(18)6-3-9(4-7-11)12(13,14)15/h5,8-9,18H,2-4,6-7H2,1H3
InChIKeyXAQSQGIZORJJHK-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.84
Rot. Bonds2

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

1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64754105) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64754105
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCCn1nccc1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-2-17-10(5-8-16-17)11(18)6-3-9(4-7-11)12(13,14)15/h5,8-9,18H,2-4,6-7H2,1H3
InChIKeyXAQSQGIZORJJHK-UHFFFAOYSA-N
XLogP2.84
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 64754105) is 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is CCn1nccc1C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is XAQSQGIZORJJHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-2-17-10(5-8-16-17)11(18)6-3-9(4-7-11)12(13,14)15/h5,8-9,18H,2-4,6-7H2,1H3.
What are the key properties of 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64754105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).