1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

C12H17F3N2O — CID 112742255

IUPAC1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1cnn(C)c1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-8-7-16-17(2)10(8)11(18)5-3-9(4-6-11)12(13,14)15/h7,9,18H,3-6H2,1-2H3
InChIKeyLGIMZSRHZNEXCC-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.67
Rot. Bonds1

About 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol

1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 112742255) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID112742255
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCc1cnn(C)c1C1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C12H17F3N2O/c1-8-7-16-17(2)10(8)11(18)5-3-9(4-6-11)12(13,14)15/h7,9,18H,3-6H2,1-2H3
InChIKeyLGIMZSRHZNEXCC-UHFFFAOYSA-N
XLogP2.67
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
1-[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-1-phenylethanol
CID 102385483
1,1,1-Trifluoro-2-[5-(2-methylbutan-2-yl)-1-propan-2-ylpyrazol-4-yl]propan-2-ol
CID 126758601
1-(1,4-Dimethyl-1h-pyrazol-5-yl)-2,2,2-trifluoroethan-1-ol
CID 130527377
1-(2,5-Dimethylpyrazol-3-yl)-4,4-difluorocyclohexan-1-ol
CID 132236371
1-[1-(Cyclohexylmethyl)-4-(trifluoromethyl)pyrazol-5-yl]ethenol
CID 166528791
1-(1,4-Dimethylpyrazol-5-yl)-2,2,2-trifluoroethane-1,1-diol
CID 169156001
1-(2-Ethylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754105
1-(2-Propylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756709
1-(2-Methylpyrazol-3-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 64756732
1-(2-Propylpyrazol-3-yl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64758038

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol (CID 112742255) is 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is Cc1cnn(C)c1C1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is LGIMZSRHZNEXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8-7-16-17(2)10(8)11(18)5-3-9(4-6-11)12(13,14)15/h7,9,18H,3-6H2,1-2H3.
What are the key properties of 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol?
1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.67, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dimethylpyrazol-5-yl)-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 112742255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).