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

C9H8N2O — CID 594724

IUPAC2-phenyl-1H-pyrazol-5-one
SMILESO=c1ccn(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChIKeyMKMDCEXRIPLNGJ-UHFFFAOYSA-N
MW160.18 g/mol
LogP1.17
Rot. Bonds1

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

2-phenyl-1H-pyrazol-5-one (PubChem CID 594724) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-phenyl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-phenyl-1H-pyrazol-5-one
PubChem CID594724
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-phenyl-1H-pyrazol-5-one
SMILESO=c1ccn(-c2ccccc2)[nH]1
InChIInChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12)
InChIKeyMKMDCEXRIPLNGJ-UHFFFAOYSA-N
XLogP1.17
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Antipyrine
CID 2206
Phenidone
CID 7090
4-Aminoantipyrine
CID 2151
4-Methyl-1-phenylpyrazolidin-3-one
CID 98282
N-Acetyl-1,2-diphenylhydrazine
CID 140901
1H-Pyrazol-5-ol, 3-methyl-1-phenyl-
CID 70335
Dimezone
CID 75861
6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
1-Phenyl-tetrahydro-pyridazin-3-one
CID 367858
4-Aminoantipyrine hydrochloride
CID 72639
3-tert-butyl-1-phenyl-1H-pyrazol-5-ol
CID 849362
1H-Pyrazole-4,5-dione, 1-phenyl-, 4-(phenylhydrazone)
CID 316037

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1H-pyrazol-5-one?
The IUPAC name of 2-phenyl-1H-pyrazol-5-one (CID 594724) is 2-phenyl-1H-pyrazol-5-one.
What is the SMILES notation for 2-phenyl-1H-pyrazol-5-one?
The canonical SMILES for 2-phenyl-1H-pyrazol-5-one is O=c1ccn(-c2ccccc2)[nH]1.
What is the InChIKey of 2-phenyl-1H-pyrazol-5-one?
The InChIKey is MKMDCEXRIPLNGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c12-9-6-7-11(10-9)8-4-2-1-3-5-8/h1-7H,(H,10,12).
What are the key properties of 2-phenyl-1H-pyrazol-5-one?
2-phenyl-1H-pyrazol-5-one has a molecular weight of 160.18 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1H-pyrazol-5-one is sourced from PubChem (CID 594724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).