5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one

C5H6F2N2O — CID 62880533

IUPAC5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C(F)F)CC1=O
InChIInChI=1S/C5H6F2N2O/c1-9-4(10)2-3(8-9)5(6)7/h5H,2H2,1H3
InChIKeyIDZHMJXCQWZTBQ-UHFFFAOYSA-N
MW148.11 g/mol
LogP0.47
Rot. Bonds1

About 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one

5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one (PubChem CID 62880533) has the molecular formula C5H6F2N2O and a molecular weight of 148.11 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one.

Molecular Properties

Compound Name5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one
PubChem CID62880533
Molecular FormulaC5H6F2N2O
Molecular Weight148.11 g/mol
Exact Mass148.04
IUPAC Name5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one
SMILESCN1N=C(C(F)F)CC1=O
InChIInChI=1S/C5H6F2N2O/c1-9-4(10)2-3(8-9)5(6)7/h5H,2H2,1H3
InChIKeyIDZHMJXCQWZTBQ-UHFFFAOYSA-N
XLogP0.47
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.11
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one?
The IUPAC name of 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one (CID 62880533) is 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one.
What is the SMILES notation for 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one?
The canonical SMILES for 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one is CN1N=C(C(F)F)CC1=O.
What is the InChIKey of 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one?
The InChIKey is IDZHMJXCQWZTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N2O/c1-9-4(10)2-3(8-9)5(6)7/h5H,2H2,1H3.
What are the key properties of 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one?
5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one has a molecular weight of 148.11 g/mol, XLogP of 0.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-methyl-4H-pyrazol-3-one is sourced from PubChem (CID 62880533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).