2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol

C8H12F2N2O — CID 155103157

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(C(F)F)c(C)c1CCO
InChIInChI=1S/C8H12F2N2O/c1-5-7(3-4-13)6(2)12(11-5)8(9)10/h8,13H,3-4H2,1-2H3
InChIKeyVELXGHJOBJTYSY-UHFFFAOYSA-N
MW190.19 g/mol
LogP1.43
Rot. Bonds3

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol (PubChem CID 155103157) has the molecular formula C8H12F2N2O and a molecular weight of 190.19 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol
PubChem CID155103157
Molecular FormulaC8H12F2N2O
Molecular Weight190.19 g/mol
Exact Mass190.09
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol
SMILESCc1nn(C(F)F)c(C)c1CCO
InChIInChI=1S/C8H12F2N2O/c1-5-7(3-4-13)6(2)12(11-5)8(9)10/h8,13H,3-4H2,1-2H3
InChIKeyVELXGHJOBJTYSY-UHFFFAOYSA-N
XLogP1.43
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 ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005918
(trimethyl-1H-pyrazol-4-yl)methanol
CID 7172184
1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 23005932
2-amino-2-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethan-1-ol
CID 43810991
2-[1-(difluoromethyl)-3,5-dimethyl-1H-pyrazol-4-yl]acetic acid
CID 47002204
2-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]acetic acid
CID 63935788
(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methanol
CID 7172183
2-[1-Pent-3-ynyl-3-(trifluoromethyl)pyrazol-4-yl]ethanol
CID 99700158
2-[3,5-Dimethyl-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]ethanol
CID 99841375
1-(Difluoromethyl)-3,4,5-trimethylpyrazole
CID 21136569
1,3,5-Trimethyl-4-(trifluoromethyl)-1H-pyrazole
CID 22980766
1,3,4-Trimethyl-5-(trifluoromethyl)pyrazole
CID 23392033

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol (CID 155103157) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol is Cc1nn(C(F)F)c(C)c1CCO.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
The InChIKey is VELXGHJOBJTYSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2N2O/c1-5-7(3-4-13)6(2)12(11-5)8(9)10/h8,13H,3-4H2,1-2H3.
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol has a molecular weight of 190.19 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]ethanol is sourced from PubChem (CID 155103157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).