2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol

C13H20F2N2O — CID 114224504

IUPAC2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(O)CC2CCCC(F)(F)C2)cnn1C
InChIInChI=1S/C13H20F2N2O/c1-9-11(8-16-17(9)2)12(18)6-10-4-3-5-13(14,15)7-10/h8,10,12,18H,3-7H2,1-2H3
InChIKeyBSXASHUEQPRWRP-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.98
Rot. Bonds3

About 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol

2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol (PubChem CID 114224504) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
PubChem CID114224504
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol
SMILESCc1c(C(O)CC2CCCC(F)(F)C2)cnn1C
InChIInChI=1S/C13H20F2N2O/c1-9-11(8-16-17(9)2)12(18)6-10-4-3-5-13(14,15)7-10/h8,10,12,18H,3-7H2,1-2H3
InChIKeyBSXASHUEQPRWRP-UHFFFAOYSA-N
XLogP2.98
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4,5,6,7-tetrahydro-1H-indazol-4-ol
CID 13836898
cyclohexyl(1-methyl-1H-pyrazol-3-yl)methanol
CID 65195367
(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(1S)-2-ethyl-1-(4-fluoro-1-methylpyrazol-5-yl)butan-1-ol
CID 139090699
(1R)-1-(1-ethyl-3-methylpyrazol-4-yl)-2,2,2-trifluoroethanol
CID 51698679
(4,5,6,7-Tetrahydropyrazolo[1,5-a]pyridin-3-yl)methanol
CID 105429741
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481
1-(Cyclohexylmethyl)-4-hydroxymethyl-3-(trifluoromethyl)-1H-pyrazole
CID 58020861
(1S,2R)-5,5-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89962726
4,4-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963010
(1S*,2R*)-4,4-Difluoro-2-(1-methyl-1H-pyrazol-5-yl)cyclohexanol
CID 89963011
5,5-Difluoro-2-(2-methylpyrazol-3-yl)cyclohexan-1-ol
CID 89963152

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol (CID 114224504) is 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol is Cc1c(C(O)CC2CCCC(F)(F)C2)cnn1C.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
The InChIKey is BSXASHUEQPRWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-9-11(8-16-17(9)2)12(18)6-10-4-3-5-13(14,15)7-10/h8,10,12,18H,3-7H2,1-2H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol?
2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol has a molecular weight of 258.31 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(1,5-dimethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 114224504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).