(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol

C7H10F2N2O — CID 95567318

IUPAC(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
SMILESCc1nn(C)cc1[C@H](O)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-4-5(3-11(2)10-4)6(12)7(8)9/h3,6-7,12H,1-2H3/t6-/m0/s1
InChIKeyBZGHZDKZMZCECO-LURJTMIESA-N
MW176.17 g/mol
LogP1.03
Rot. Bonds2

About (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol

(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol (PubChem CID 95567318) has the molecular formula C7H10F2N2O and a molecular weight of 176.17 g/mol. Its IUPAC name is (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
PubChem CID95567318
Molecular FormulaC7H10F2N2O
Molecular Weight176.17 g/mol
Exact Mass176.08
IUPAC Name(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol
SMILESCc1nn(C)cc1[C@H](O)C(F)F
InChIInChI=1S/C7H10F2N2O/c1-4-5(3-11(2)10-4)6(12)7(8)9/h3,6-7,12H,1-2H3/t6-/m0/s1
InChIKeyBZGHZDKZMZCECO-LURJTMIESA-N
XLogP1.03
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1,3-dimethylpyrazol-4-yl)-2-methylpropan-1-ol
CID 83090041
3-(1,3-dimethylpyrazol-4-yl)-3-hydroxy-2-methylpropanenitrile
CID 83093884
3-(1,3-dimethylpyrazol-4-yl)butan-2-ol
CID 66436534
(1R)-2-amino-1-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83000950
2-amino-1-(1,3-dimethylpyrazol-4-yl)-4-methylpentan-1-ol
CID 83088538
1-(1,3-dimethylpyrazol-4-yl)butan-1-ol
CID 83090747
[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]azanium
CID 7019316
(1,3-dimethylpyrazol-4-yl)-(4-methylphenyl)methanol
CID 83090741
1-(1,3-dimethylpyrazol-4-yl)-5-methylhexan-1-ol
CID 83157835
2-amino-2-(1,3-dimethylpyrazol-4-yl)ethanol
CID 83091814
4-[1-(3,3-difluorocyclobutyl)ethyl]-1,3-dimethylpyrazole
CID 173077766
1-(1,3-dimethylpyrazol-4-yl)-2-(propan-2-ylamino)ethanol
CID 83095157

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol?
The IUPAC name of (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol (CID 95567318) is (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol.
What is the SMILES notation for (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol?
The canonical SMILES for (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol is Cc1nn(C)cc1[C@H](O)C(F)F.
What is the InChIKey of (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol?
The InChIKey is BZGHZDKZMZCECO-LURJTMIESA-N. The full InChI is InChI=1S/C7H10F2N2O/c1-4-5(3-11(2)10-4)6(12)7(8)9/h3,6-7,12H,1-2H3/t6-/m0/s1.
What are the key properties of (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol?
(1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol has a molecular weight of 176.17 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,3-dimethylpyrazol-4-yl)-2,2-difluoroethanol is sourced from PubChem (CID 95567318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).