[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol

C12H17F3N2O — CID 122532996

IUPAC[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol
SMILESCc1nn(C2CCC(C(F)(F)F)CC2)cc1CO
InChIInChI=1S/C12H17F3N2O/c1-8-9(7-18)6-17(16-8)11-4-2-10(3-5-11)12(13,14)15/h6,10-11,18H,2-5,7H2,1H3
InChIKeyHOXYOWGUSBYGBW-UHFFFAOYSA-N
MW262.27 g/mol
LogP2.98
Rot. Bonds2

About [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol

[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol (PubChem CID 122532996) has the molecular formula C12H17F3N2O and a molecular weight of 262.27 g/mol. Its IUPAC name is [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol
PubChem CID122532996
Molecular FormulaC12H17F3N2O
Molecular Weight262.27 g/mol
Exact Mass262.13
IUPAC Name[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol
SMILESCc1nn(C2CCC(C(F)(F)F)CC2)cc1CO
InChIInChI=1S/C12H17F3N2O/c1-8-9(7-18)6-17(16-8)11-4-2-10(3-5-11)12(13,14)15/h6,10-11,18H,2-5,7H2,1H3
InChIKeyHOXYOWGUSBYGBW-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-methyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 2807828
(1-ethyl-3-methyl-1H-pyrazol-4-yl)methanol
CID 786252
[5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 66437455
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 119031793
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
{1-[1-({[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methyl}amino)-2-methylpropyl]cyclobutyl}methanol
CID 137973951
(1-Methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 21039553
[1-Ethyl-3-trifluoromethyl-1H-pyrazol-4-yl]-methanol
CID 57574509
(1-isobutyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanol
CID 58020550
[1-Cyclohexyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020555
[1-Cyclopentyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020670
[1-Isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]methanol
CID 58020671

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol (CID 122532996) is [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol is Cc1nn(C2CCC(C(F)(F)F)CC2)cc1CO.
What is the InChIKey of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol?
The InChIKey is HOXYOWGUSBYGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N2O/c1-8-9(7-18)6-17(16-8)11-4-2-10(3-5-11)12(13,14)15/h6,10-11,18H,2-5,7H2,1H3.
What are the key properties of [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol?
[3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol has a molecular weight of 262.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-[4-(trifluoromethyl)cyclohexyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 122532996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).