2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol

C10H16F2N2O2 — CID 163981352

IUPAC2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol
SMILESOCCCC(CO)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)6-14-5-9(4-13-14)8(7-16)2-1-3-15/h4-5,8,10,15-16H,1-3,6-7H2
InChIKeySYQQIWFJWLAWFL-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.00
Rot. Bonds7

About 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol

2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol (PubChem CID 163981352) has the molecular formula C10H16F2N2O2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol.

Molecular Properties

Compound Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol
PubChem CID163981352
Molecular FormulaC10H16F2N2O2
Molecular Weight234.25 g/mol
Exact Mass234.12
IUPAC Name2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol
SMILESOCCCC(CO)c1cnn(CC(F)F)c1
InChIInChI=1S/C10H16F2N2O2/c11-10(12)6-14-5-9(4-13-14)8(7-16)2-1-3-15/h4-5,8,10,15-16H,1-3,6-7H2
InChIKeySYQQIWFJWLAWFL-UHFFFAOYSA-N
XLogP1.00
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
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
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
1-(Oxan-2-yl)-4-[2-(trifluoromethoxymethyl)cyclopropyl]pyrazole
CID 163279732
2-Methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol
CID 168907448
(2R)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol
CID 168907478
(2S)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]propan-1-ol
CID 168907586

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol?
The IUPAC name of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol (CID 163981352) is 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol.
What is the SMILES notation for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol?
The canonical SMILES for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol is OCCCC(CO)c1cnn(CC(F)F)c1.
What is the InChIKey of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol?
The InChIKey is SYQQIWFJWLAWFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N2O2/c11-10(12)6-14-5-9(4-13-14)8(7-16)2-1-3-15/h4-5,8,10,15-16H,1-3,6-7H2.
What are the key properties of 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol?
2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol has a molecular weight of 234.25 g/mol, XLogP of 1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,2-difluoroethyl)pyrazol-4-yl]pentane-1,5-diol is sourced from PubChem (CID 163981352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).