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

C10H9FN2O — CID 174672389

IUPAC2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(F)c(=O)c1-c1ccccc1
InChIInChI=1S/C10H9FN2O/c1-7-9(10(14)13(11)12-7)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyCCBVNPDGMJCLPW-UHFFFAOYSA-N
MW192.19 g/mol
LogP1.88
Rot. Bonds1

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

2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one (PubChem CID 174672389) has the molecular formula C10H9FN2O and a molecular weight of 192.19 g/mol. Its IUPAC name is 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one
PubChem CID174672389
Molecular FormulaC10H9FN2O
Molecular Weight192.19 g/mol
Exact Mass192.07
IUPAC Name2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one
SMILESCc1[nH]n(F)c(=O)c1-c1ccccc1
InChIInChI=1S/C10H9FN2O/c1-7-9(10(14)13(11)12-7)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyCCBVNPDGMJCLPW-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one?
The IUPAC name of 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one (CID 174672389) is 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one is Cc1[nH]n(F)c(=O)c1-c1ccccc1.
What is the InChIKey of 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one?
The InChIKey is CCBVNPDGMJCLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O/c1-7-9(10(14)13(11)12-7)8-5-3-2-4-6-8/h2-6,12H,1H3.
What are the key properties of 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one?
2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one has a molecular weight of 192.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methyl-4-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 174672389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).