3-(difluoromethyl)-1,4-dimethylpyrazole

C6H8F2N2 — CID 22980781

IUPAC3-(difluoromethyl)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1C(F)F
InChIInChI=1S/C6H8F2N2/c1-4-3-10(2)9-5(4)6(7)8/h3,6H,1-2H3
InChIKeyABFCPDYYBWSWKZ-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.67
Rot. Bonds1

About 3-(difluoromethyl)-1,4-dimethylpyrazole

3-(difluoromethyl)-1,4-dimethylpyrazole (PubChem CID 22980781) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 3-(difluoromethyl)-1,4-dimethylpyrazole.

Molecular Properties

Compound Name3-(difluoromethyl)-1,4-dimethylpyrazole
PubChem CID22980781
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name3-(difluoromethyl)-1,4-dimethylpyrazole
SMILESCc1cn(C)nc1C(F)F
InChIInChI=1S/C6H8F2N2/c1-4-3-10(2)9-5(4)6(7)8/h3,6H,1-2H3
InChIKeyABFCPDYYBWSWKZ-UHFFFAOYSA-N
XLogP1.67
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1,4-dimethylpyrazole?
The IUPAC name of 3-(difluoromethyl)-1,4-dimethylpyrazole (CID 22980781) is 3-(difluoromethyl)-1,4-dimethylpyrazole.
What is the SMILES notation for 3-(difluoromethyl)-1,4-dimethylpyrazole?
The canonical SMILES for 3-(difluoromethyl)-1,4-dimethylpyrazole is Cc1cn(C)nc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-1,4-dimethylpyrazole?
The InChIKey is ABFCPDYYBWSWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-4-3-10(2)9-5(4)6(7)8/h3,6H,1-2H3.
What are the key properties of 3-(difluoromethyl)-1,4-dimethylpyrazole?
3-(difluoromethyl)-1,4-dimethylpyrazole has a molecular weight of 146.14 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1,4-dimethylpyrazole is sourced from PubChem (CID 22980781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).