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

C10H10N2O — CID 10844967

IUPAC2-methyl-3-phenyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1-c1ccccc1
InChIInChI=1S/C10H10N2O/c1-12-9(7-10(13)11-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13)
InChIKeyFDEPSRKXUMKSDW-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.38
Rot. Bonds1

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

2-methyl-3-phenyl-1H-pyrazol-5-one (PubChem CID 10844967) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 2-methyl-3-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-methyl-3-phenyl-1H-pyrazol-5-one
PubChem CID10844967
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name2-methyl-3-phenyl-1H-pyrazol-5-one
SMILESCn1[nH]c(=O)cc1-c1ccccc1
InChIInChI=1S/C10H10N2O/c1-12-9(7-10(13)11-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13)
InChIKeyFDEPSRKXUMKSDW-UHFFFAOYSA-N
XLogP1.38
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-phenyl-1H-pyrazol-5-one?
The IUPAC name of 2-methyl-3-phenyl-1H-pyrazol-5-one (CID 10844967) is 2-methyl-3-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-methyl-3-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 2-methyl-3-phenyl-1H-pyrazol-5-one is Cn1[nH]c(=O)cc1-c1ccccc1.
What is the InChIKey of 2-methyl-3-phenyl-1H-pyrazol-5-one?
The InChIKey is FDEPSRKXUMKSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-12-9(7-10(13)11-12)8-5-3-2-4-6-8/h2-7H,1H3,(H,11,13).
What are the key properties of 2-methyl-3-phenyl-1H-pyrazol-5-one?
2-methyl-3-phenyl-1H-pyrazol-5-one has a molecular weight of 174.20 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 10844967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).