1-(2,2-difluoroethyl)-4-methylpyrazole

C6H8F2N2 — CID 58206233

IUPAC1-(2,2-difluoroethyl)-4-methylpyrazole
SMILESCc1cnn(CC(F)F)c1
InChIInChI=1S/C6H8F2N2/c1-5-2-9-10(3-5)4-6(7)8/h2-3,6H,4H2,1H3
InChIKeyJUJHOEUEDAEEBA-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.46
Rot. Bonds2

About 1-(2,2-difluoroethyl)-4-methylpyrazole

1-(2,2-difluoroethyl)-4-methylpyrazole (PubChem CID 58206233) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-methylpyrazole
PubChem CID58206233
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name1-(2,2-difluoroethyl)-4-methylpyrazole
SMILESCc1cnn(CC(F)F)c1
InChIInChI=1S/C6H8F2N2/c1-5-2-9-10(3-5)4-6(7)8/h2-3,6H,4H2,1H3
InChIKeyJUJHOEUEDAEEBA-UHFFFAOYSA-N
XLogP1.46
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1,4-Dimethylpyrazole
CID 136836
4-Ethynyl-1-methyl-1H-pyrazole
CID 51138321
(1-ethyl-1H-pyrazol-4-yl)methanamine
CID 580103
(1-methyl-1H-pyrazol-4-yl)methanamine
CID 671225
1-(difluoromethyl)-1H-pyrazole
CID 5253348
1-methyl-1H-pyrazole-4-carbonitrile
CID 12747521
4-ethenyl-1-methyl-1H-pyrazole
CID 21825964
4-Bromo-1-propyl-1H-pyrazole
CID 21859707
1-ethyl-4-ethynyl-1H-pyrazole
CID 22042601
3-Iodo-1,4-dimethyl-1H-pyrazole
CID 57883344
((1-ethyl-1H-pyrazol-4-yl)methyl)(methyl)amine
CID 672401

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-methylpyrazole?
The IUPAC name of 1-(2,2-difluoroethyl)-4-methylpyrazole (CID 58206233) is 1-(2,2-difluoroethyl)-4-methylpyrazole.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-methylpyrazole?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-methylpyrazole is Cc1cnn(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-methylpyrazole?
The InChIKey is JUJHOEUEDAEEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-5-2-9-10(3-5)4-6(7)8/h2-3,6H,4H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-4-methylpyrazole?
1-(2,2-difluoroethyl)-4-methylpyrazole has a molecular weight of 146.14 g/mol, XLogP of 1.46, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-methylpyrazole is sourced from PubChem (CID 58206233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).