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

C10H13F3N2O — CID 177051829

IUPAC4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-5-14-15(6-7)8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4H2
InChIKeyFKWMMSHSBPTHDW-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.38
Rot. Bonds1

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

4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (PubChem CID 177051829) has the molecular formula C10H13F3N2O and a molecular weight of 234.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
PubChem CID177051829
Molecular FormulaC10H13F3N2O
Molecular Weight234.22 g/mol
Exact Mass234.10
IUPAC Name4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
SMILESOC1CCC(n2cc(C(F)(F)F)cn2)CC1
InChIInChI=1S/C10H13F3N2O/c11-10(12,13)7-5-14-15(6-7)8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4H2
InChIKeyFKWMMSHSBPTHDW-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Fluoro-1-[4-[(2-methylpropan-2-yl)oxy]cyclohexyl]pyrazole
CID 156167108
cis-4-(4-Fluoropyrazol-1-yl)cyclohexanol
CID 156167408
4-(3-Chloro-4-fluoropyrazol-1-yl)cyclohexan-1-ol
CID 156715763
1-[4-(Trifluoromethyl)pyrazol-1-yl]pentan-2-ol
CID 64176938
1-Cyclopropyl-2-[4-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 64176940
2-[4-(Trifluoromethyl)pyrazol-1-yl]cyclooctan-1-ol
CID 64177110
2-[4-(Trifluoromethyl)pyrazol-1-yl]pentan-3-ol
CID 64177285
4-[4-(Trifluoromethyl)pyrazol-1-yl]butan-1-ol
CID 64177620
2-[4-(Trifluoromethyl)pyrazol-1-yl]cyclopentan-1-ol
CID 64177621
1-[4-(Trifluoromethyl)pyrazol-1-yl]butan-2-ol
CID 64177935
2-[4-(Trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol
CID 64178287
5-[4-(Trifluoromethyl)pyrazol-1-yl]pentan-1-ol
CID 64178288

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The IUPAC name of 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol (CID 177051829) is 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is OC1CCC(n2cc(C(F)(F)F)cn2)CC1.
What is the InChIKey of 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
The InChIKey is FKWMMSHSBPTHDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O/c11-10(12,13)7-5-14-15(6-7)8-1-3-9(16)4-2-8/h5-6,8-9,16H,1-4H2.
What are the key properties of 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol?
4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol has a molecular weight of 234.22 g/mol, XLogP of 2.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)pyrazol-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 177051829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).