4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol

C12H17F3N2O — CID 166833817

IUPAC4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)n(CC2CCC(O)CC2)n1
InChIInChI=1S/C12H17F3N2O/c1-8-6-11(12(13,14)15)17(16-8)7-9-2-4-10(18)5-3-9/h6,9-10,18H,2-5,7H2,1H3
InChIKeyWHAZWQKMXZSMPE-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.76
Rot. Bonds2

About 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol

4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol (PubChem CID 166833817) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
PubChem CID166833817
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol
SMILESCc1cc(C(F)(F)F)n(CC2CCC(O)CC2)n1
InChIInChI=1S/C12H17F3N2O/c1-8-6-11(12(13,14)15)17(16-8)7-9-2-4-10(18)5-3-9/h6,9-10,18H,2-5,7H2,1H3
InChIKeyWHAZWQKMXZSMPE-UHFFFAOYSA-N
XLogP2.76
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 ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(2,5-Dimethylpyrazol-3-yl)methyl]-4,4-difluoropiperidin-3-yl]methanol
CID 124051235
trans-(1S,2S)-2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 164632416
1-(Cyclohexylmethyl)-5-methyl-3-(trifluoromethyl)pyrazole
CID 70919591
4-[5-Methyl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 122633452
5-Methyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 122633457
4-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 134331554
1-[2-(Oxan-4-yl)ethyl]-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 134331560
5-Ethyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 134331615
3-[5-Propan-2-yl-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 134331678
1-(Oxan-2-yl)-5-propan-2-yl-3-(trifluoromethyl)pyrazole
CID 142624744
2-[5-[4-[(R)-dimethylamino(hydroxy)methyl]cyclohexyl]-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 143533731
Ethane;5-methyl-1-[2-(oxan-4-yl)ethyl]-3-(trifluoromethyl)pyrazole
CID 144862601

Frequently Asked Questions

What is the IUPAC name of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol (CID 166833817) is 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol is Cc1cc(C(F)(F)F)n(CC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is WHAZWQKMXZSMPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8-6-11(12(13,14)15)17(16-8)7-9-2-4-10(18)5-3-9/h6,9-10,18H,2-5,7H2,1H3.
What are the key properties of 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol?
4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 262.27 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 166833817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).