2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol

C8H12F2N2O — CID 123231287

IUPAC2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol
SMILESCc1cnn(CCO)c1C(C)(F)F
InChIInChI=1S/C8H12F2N2O/c1-6-5-11-12(3-4-13)7(6)8(2,9)10/h5,13H,3-4H2,1-2H3
InChIKeyNIQCVHSCAGWNIG-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.30
Rot. Bonds3

About 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol

2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol (PubChem CID 123231287) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol
PubChem CID123231287
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol
SMILESCc1cnn(CCO)c1C(C)(F)F
InChIInChI=1S/C8H12F2N2O/c1-6-5-11-12(3-4-13)7(6)8(2,9)10/h5,13H,3-4H2,1-2H3
InChIKeyNIQCVHSCAGWNIG-UHFFFAOYSA-N
XLogP1.30
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 ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Tert-butyl-3-ethyl-4-(trifluoromethyl)pyrazole
CID 14175133
1-Tert-butyl-3-propan-2-yl-4-(trifluoromethyl)pyrazole
CID 14175134
2-(4,5-Dimethylpyrazol-1-yl)ethanol
CID 58514590
2-[1-Cyclopentyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 75484875
1-[(3-Ethyl-1-methylpyrazol-4-yl)methyl]-4-(trifluoromethyl)piperidin-4-ol
CID 75500665
2-[1-Pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]but-2-en-1-ol
CID 101394454
3-(2,2-Difluoro-2-iodoethyl)-1,4-dimethylpyrazole
CID 20706403
4-Butyl-1-methyl-5-(trifluoromethyl)pyrazole
CID 23383473
2-[4-Methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514586
2-[4-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514749
3-(1-Fluoroethyl)-1,4-dimethylpyrazole
CID 59340900

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol (CID 123231287) is 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol is Cc1cnn(CCO)c1C(C)(F)F.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol?
The InChIKey is NIQCVHSCAGWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-6-5-11-12(3-4-13)7(6)8(2,9)10/h5,13H,3-4H2,1-2H3.
What are the key properties of 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol?
2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol has a molecular weight of 190.19 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-4-methylpyrazol-1-yl]ethanol is sourced from PubChem (CID 123231287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).