4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one

C10H9FN2O — CID 12859033

IUPAC4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccccc2)c(F)c1=O
InChIInChI=1S/C10H9FN2O/c1-13-10(14)8(11)9(12-13)7-5-3-2-4-6-7/h2-6,12H,1H3
InChIKeyAGWBGPKPWJKHKT-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.52
Rot. Bonds1

About 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one

4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one (PubChem CID 12859033) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one
PubChem CID12859033
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one
SMILESCn1[nH]c(-c2ccccc2)c(F)c1=O
InChIInChI=1S/C10H9FN2O/c1-13-10(14)8(11)9(12-13)7-5-3-2-4-6-7/h2-6,12H,1H3
InChIKeyAGWBGPKPWJKHKT-UHFFFAOYSA-N
XLogP1.52
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one?
The IUPAC name of 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one (CID 12859033) is 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one is Cn1[nH]c(-c2ccccc2)c(F)c1=O.
What is the InChIKey of 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one?
The InChIKey is AGWBGPKPWJKHKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-13-10(14)8(11)9(12-13)7-5-3-2-4-6-7/h2-6,12H,1H3.
What are the key properties of 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one?
4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one has a molecular weight of 192.19 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-5-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 12859033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).