1-(difluoromethyl)-4-methylpyrazole

C5H6F2N2 — CID 58206224

IUPAC1-(difluoromethyl)-4-methylpyrazole
SMILESCc1cnn(C(F)F)c1
InChIInChI=1S/C5H6F2N2/c1-4-2-8-9(3-4)5(6)7/h2-3,5H,1H3
InChIKeyNXMILCAIZYLCDL-UHFFFAOYSA-N
MW132.11 g/mol
LogP1.59
Rot. Bonds1

About 1-(difluoromethyl)-4-methylpyrazole

1-(difluoromethyl)-4-methylpyrazole (PubChem CID 58206224) has the molecular formula C5H6F2N2 and a molecular weight of 132.11 g/mol. Its IUPAC name is 1-(difluoromethyl)-4-methylpyrazole.

Molecular Properties

Compound Name1-(difluoromethyl)-4-methylpyrazole
PubChem CID58206224
Molecular FormulaC5H6F2N2
Molecular Weight132.11 g/mol
Exact Mass132.05
IUPAC Name1-(difluoromethyl)-4-methylpyrazole
SMILESCc1cnn(C(F)F)c1
InChIInChI=1S/C5H6F2N2/c1-4-2-8-9(3-4)5(6)7/h2-3,5H,1H3
InChIKeyNXMILCAIZYLCDL-UHFFFAOYSA-N
XLogP1.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.11
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-4-methylpyrazole?
The IUPAC name of 1-(difluoromethyl)-4-methylpyrazole (CID 58206224) is 1-(difluoromethyl)-4-methylpyrazole.
What is the SMILES notation for 1-(difluoromethyl)-4-methylpyrazole?
The canonical SMILES for 1-(difluoromethyl)-4-methylpyrazole is Cc1cnn(C(F)F)c1.
What is the InChIKey of 1-(difluoromethyl)-4-methylpyrazole?
The InChIKey is NXMILCAIZYLCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2/c1-4-2-8-9(3-4)5(6)7/h2-3,5H,1H3.
What are the key properties of 1-(difluoromethyl)-4-methylpyrazole?
1-(difluoromethyl)-4-methylpyrazole has a molecular weight of 132.11 g/mol, XLogP of 1.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-4-methylpyrazole is sourced from PubChem (CID 58206224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).