1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol

C8H12F2N2O — CID 112670831

IUPAC1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol
SMILESCCc1nn(C)cc1C(O)C(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-6-5(4-12(2)11-6)7(13)8(9)10/h4,7-8,13H,3H2,1-2H3
InChIKeyBQKGQOFDDJQEQI-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.28
Rot. Bonds3

About 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol

1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol (PubChem CID 112670831) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol
PubChem CID112670831
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol
SMILESCCc1nn(C)cc1C(O)C(F)F
InChIInChI=1S/C8H12F2N2O/c1-3-6-5(4-12(2)11-6)7(13)8(9)10/h4,7-8,13H,3H2,1-2H3
InChIKeyBQKGQOFDDJQEQI-UHFFFAOYSA-N
XLogP1.28
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.19
LogP ≤ 51.28
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
[3-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 119031793
(1R)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154828527
[5-(difluoromethyl)-1-methyl-1H-pyrazol-4-yl]methanol
CID 66437455
(1S)-1-[1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 146048589
(1S)-1-(1,4-dimethyl-1H-pyrazol-5-yl)ethan-1-ol
CID 154832493
(1R)-1-(1,4-dimethyl-1H-pyrazol-3-yl)ethan-1-ol
CID 165723508
(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
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500665
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
2-Ethyl-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]butan-1-ol
CID 102385481

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol?
The IUPAC name of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol (CID 112670831) is 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol?
The canonical SMILES for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol is CCc1nn(C)cc1C(O)C(F)F.
What is the InChIKey of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol?
The InChIKey is BQKGQOFDDJQEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-3-6-5(4-12(2)11-6)7(13)8(9)10/h4,7-8,13H,3H2,1-2H3.
What are the key properties of 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol?
1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol has a molecular weight of 190.19 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-1-methylpyrazol-4-yl)-2,2-difluoroethanol is sourced from PubChem (CID 112670831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).