3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one

C5H6F2N2O — CID 14614712

IUPAC3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(F)F
InChIInChI=1S/C5H6F2N2O/c1-9-3(5(6)7)2-4(10)8-9/h2,5H,1H3,(H,8,10)
InChIKeyZIJFHJQWPWLQON-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.65
Rot. Bonds1

About 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one

3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one (PubChem CID 14614712) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one
PubChem CID14614712
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1C(F)F
InChIInChI=1S/C5H6F2N2O/c1-9-3(5(6)7)2-4(10)8-9/h2,5H,1H3,(H,8,10)
InChIKeyZIJFHJQWPWLQON-UHFFFAOYSA-N
XLogP0.65
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one?
The IUPAC name of 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one (CID 14614712) is 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one?
The canonical SMILES for 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1C(F)F.
What is the InChIKey of 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one?
The InChIKey is ZIJFHJQWPWLQON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-9-3(5(6)7)2-4(10)8-9/h2,5H,1H3,(H,8,10).
What are the key properties of 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one?
3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one has a molecular weight of 148.11 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-2-methyl-1H-pyrazol-5-one is sourced from PubChem (CID 14614712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).