(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol

C11H16F2N2O2 — CID 122657932

IUPAC(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
SMILESCOCn1cc([C@H]2CCC(F)(F)CC2O)cn1
InChIInChI=1S/C11H16F2N2O2/c1-17-7-15-6-8(5-14-15)9-2-3-11(12,13)4-10(9)16/h5-6,9-10,16H,2-4,7H2,1H3/t9-,10?/m1/s1
InChIKeyOZCDCAWKJLPXQM-YHMJZVADSA-N
MW246.26 g/mol
LogP1.75
Rot. Bonds3

About (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol

(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol (PubChem CID 122657932) has the molecular formula C11H16F2N2O2 and a molecular weight of 246.26 g/mol. Its IUPAC name is (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
PubChem CID122657932
Molecular FormulaC11H16F2N2O2
Molecular Weight246.26 g/mol
Exact Mass246.12
IUPAC Name(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol
SMILESCOCn1cc([C@H]2CCC(F)(F)CC2O)cn1
InChIInChI=1S/C11H16F2N2O2/c1-17-7-15-6-8(5-14-15)9-2-3-11(12,13)4-10(9)16/h5-6,9-10,16H,2-4,7H2,1H3/t9-,10?/m1/s1
InChIKeyOZCDCAWKJLPXQM-YHMJZVADSA-N
XLogP1.75
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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
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
(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
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]heptane-1,3-diol
CID 141407053
2-[3-(Difluoromethyl)-1-methylpyrazol-4-yl]hexane-1,3-diol
CID 141407057
2-[1-(2,2-Difluoroethyl)pyrazol-4-yl]pentane-1,5-diol
CID 163981352
(2R)-2-[1-tert-butyl-3-(difluoromethyl)pyrazol-4-yl]cyclohexan-1-ol
CID 173838595
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-(1-methylpyrazol-4-yl)oxane-3,4-diol
CID 166681919

Frequently Asked Questions

What is the IUPAC name of (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol?
The IUPAC name of (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol (CID 122657932) is (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol.
What is the SMILES notation for (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol?
The canonical SMILES for (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol is COCn1cc([C@H]2CCC(F)(F)CC2O)cn1.
What is the InChIKey of (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol?
The InChIKey is OZCDCAWKJLPXQM-YHMJZVADSA-N. The full InChI is InChI=1S/C11H16F2N2O2/c1-17-7-15-6-8(5-14-15)9-2-3-11(12,13)4-10(9)16/h5-6,9-10,16H,2-4,7H2,1H3/t9-,10?/m1/s1.
What are the key properties of (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol?
(2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol has a molecular weight of 246.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5,5-difluoro-2-[1-(methoxymethyl)pyrazol-4-yl]cyclohexan-1-ol is sourced from PubChem (CID 122657932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).