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

C10H10N2O — CID 2818206

IUPAC3-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCc1cc(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,13)
InChIKeyQBPBVVYCXXLMSY-UHFFFAOYSA-N
MW174.20 g/mol
LogP1.47
Rot. Bonds1

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

3-methyl-2-phenyl-1H-pyrazol-5-one (PubChem CID 2818206) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is 3-methyl-2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name3-methyl-2-phenyl-1H-pyrazol-5-one
PubChem CID2818206
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC Name3-methyl-2-phenyl-1H-pyrazol-5-one
SMILESCc1cc(=O)[nH]n1-c1ccccc1
InChIInChI=1S/C10H10N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,13)
InChIKeyQBPBVVYCXXLMSY-UHFFFAOYSA-N
XLogP1.47
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 ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 3-methyl-2-phenyl-1H-pyrazol-5-one (CID 2818206) is 3-methyl-2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 3-methyl-2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 3-methyl-2-phenyl-1H-pyrazol-5-one is Cc1cc(=O)[nH]n1-c1ccccc1.
What is the InChIKey of 3-methyl-2-phenyl-1H-pyrazol-5-one?
The InChIKey is QBPBVVYCXXLMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-8-7-10(13)11-12(8)9-5-3-2-4-6-9/h2-7H,1H3,(H,11,13).
What are the key properties of 3-methyl-2-phenyl-1H-pyrazol-5-one?
3-methyl-2-phenyl-1H-pyrazol-5-one has a molecular weight of 174.20 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 2818206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).