1-(difluoromethyl)-3,4-dimethylpyrazole

C6H8F2N2 — CID 123524025

IUPAC1-(difluoromethyl)-3,4-dimethylpyrazole
SMILESCc1cn(C(F)F)nc1C
InChIInChI=1S/C6H8F2N2/c1-4-3-10(6(7)8)9-5(4)2/h3,6H,1-2H3
InChIKeyUPROUWVOVZWFIV-UHFFFAOYSA-N
MW146.14 g/mol
LogP1.90
Rot. Bonds1

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

1-(difluoromethyl)-3,4-dimethylpyrazole (PubChem CID 123524025) has the molecular formula C6H8F2N2 and a molecular weight of 146.14 g/mol. Its IUPAC name is 1-(difluoromethyl)-3,4-dimethylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-3,4-dimethylpyrazole
PubChem CID123524025
Molecular FormulaC6H8F2N2
Molecular Weight146.14 g/mol
Exact Mass146.07
IUPAC Name1-(difluoromethyl)-3,4-dimethylpyrazole
SMILESCc1cn(C(F)F)nc1C
InChIInChI=1S/C6H8F2N2/c1-4-3-10(6(7)8)9-5(4)2/h3,6H,1-2H3
InChIKeyUPROUWVOVZWFIV-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(difluoromethyl)-3,4-dimethylpyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-3,4-dimethylpyrazole?
The IUPAC name of 1-(difluoromethyl)-3,4-dimethylpyrazole (CID 123524025) is 1-(difluoromethyl)-3,4-dimethylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-3,4-dimethylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-3,4-dimethylpyrazole is Cc1cn(C(F)F)nc1C.
What is the InChIKey of 1-(difluoromethyl)-3,4-dimethylpyrazole?
The InChIKey is UPROUWVOVZWFIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F2N2/c1-4-3-10(6(7)8)9-5(4)2/h3,6H,1-2H3.
What are the key properties of 1-(difluoromethyl)-3,4-dimethylpyrazole?
1-(difluoromethyl)-3,4-dimethylpyrazole has a molecular weight of 146.14 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-3,4-dimethylpyrazole is sourced from PubChem (CID 123524025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).