1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

C13H20F2N2O — CID 103027886

IUPAC1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H20F2N2O/c1-17-9-10(8-16-17)2-3-12(18)11-4-6-13(14,15)7-5-11/h8-9,11-12,18H,2-7H2,1H3
InChIKeyOELYSVHZIMXTTI-UHFFFAOYSA-N
MW258.31 g/mol
LogP2.54
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol

1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 103027886) has the molecular formula C13H20F2N2O and a molecular weight of 258.31 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID103027886
Molecular FormulaC13H20F2N2O
Molecular Weight258.31 g/mol
Exact Mass258.15
IUPAC Name1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(CCC(O)C2CCC(F)(F)CC2)cn1
InChIInChI=1S/C13H20F2N2O/c1-17-9-10(8-16-17)2-3-12(18)11-4-6-13(14,15)7-5-11/h8-9,11-12,18H,2-7H2,1H3
InChIKeyOELYSVHZIMXTTI-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5,5-Difluoro-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclohexan-1-ol
CID 89962237
trans-(1S,2R)-5,5-difluoro-2-[1-(oxan-2-yl)pyrazol-4-yl]cyclohexan-1-ol
CID 89962238
4,4-Difluoro-1-[1-(methoxymethyl)-1H-pyrazol-4-yl]cyclohexanol
CID 89962338
4,4-Difluoro-1-[1-(tetrahydro-2H-pyran-2-yl)-1H-pyrazol-4-yl]cyclohexanol
CID 89963110
5,5-Difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 89963305
trans-(1S,2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 89963306
(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 122657932
(2S)-1,1,1-trifluoro-3-(4-pentan-2-ylpyrazol-1-yl)propan-2-ol
CID 134364541
(3R)-1-(1-methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
CID 135352089
1-(1-Methylpyrazol-4-yl)-3-(trifluoromethyl)pentane-1,5-diol
CID 135352090
(6S)-4-ethyl-1,1-difluoro-8-hydroxy-2,2-dimethyl-6-(1-methylpyrazol-4-yl)octan-3-one
CID 145323842
(3,3-Difluorocyclobutyl)-[1-(oxan-2-yl)pyrazol-4-yl]methanol;ethane
CID 163383977

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol (CID 103027886) is 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(CCC(O)C2CCC(F)(F)CC2)cn1.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is OELYSVHZIMXTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2O/c1-17-9-10(8-16-17)2-3-12(18)11-4-6-13(14,15)7-5-11/h8-9,11-12,18H,2-7H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol?
1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 258.31 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-3-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 103027886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).