5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one

C10H10N2O3 — CID 57248062

IUPAC5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(C(O)O)[nH]n1-c1ccccc1
InChIInChI=1S/C10H10N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-6,10-11,14-15H
InChIKeyAUNHUSZLOCXBRH-UHFFFAOYSA-N
MW206.20 g/mol
LogP0.15
Rot. Bonds2

About 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one

5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one (PubChem CID 57248062) has the molecular formula C10H10N2O3 and a molecular weight of 206.20 g/mol. Its IUPAC name is 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one
PubChem CID57248062
Molecular FormulaC10H10N2O3
Molecular Weight206.20 g/mol
Exact Mass206.07
IUPAC Name5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one
SMILESO=c1cc(C(O)O)[nH]n1-c1ccccc1
InChIInChI=1S/C10H10N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-6,10-11,14-15H
InChIKeyAUNHUSZLOCXBRH-UHFFFAOYSA-N
XLogP0.15
TPSA78.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

5-(3-oxo-2-phenyl-1H-pyrazol-5-yl)-2-phenyl-1H-pyrazol-3-one
CID 57221591
2,5-diphenyl-1H-pyrazol-3-one;hydrochloride
CID 91989506
5-fluoro-2-phenyl-1H-pyrazol-3-one
CID 155895443
5-methyl-2-phenyl-1H-pyrazol-3-one
CID 67784781
5-cyclopropyl-2-phenyl-1H-pyrazol-3-one
CID 66022699
5-(3-methyl-2-oxobutyl)-2-phenyl-1H-pyrazol-3-one
CID 70931304
5-methoxy-2-phenyl-1H-pyrazol-3-one
CID 126736456
5-[4-[2-(3,4-dihydroxyphenyl)ethenyl]phenyl]-2-phenyl-1H-pyrazol-3-one
CID 68977445
5-(2-aminopropyl)-2-phenyl-1H-pyrazol-3-one
CID 83887702
N-ethyl-3-oxo-2-phenyl-1H-pyrazole-5-carboxamide
CID 54252922
5-(4-methoxyphenyl)-2-phenyl-1H-pyrazol-3-one
CID 751024
3-cyclopropyl-3-[(3-oxo-2-phenyl-1H-pyrazole-5-carbonyl)amino]propanoic acid
CID 90094076

Frequently Asked Questions

What is the IUPAC name of 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one?
The IUPAC name of 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one (CID 57248062) is 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one?
The canonical SMILES for 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one is O=c1cc(C(O)O)[nH]n1-c1ccccc1.
What is the InChIKey of 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one?
The InChIKey is AUNHUSZLOCXBRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O3/c13-9-6-8(10(14)15)11-12(9)7-4-2-1-3-5-7/h1-6,10-11,14-15H.
What are the key properties of 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one?
5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one has a molecular weight of 206.20 g/mol, XLogP of 0.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dihydroxymethyl)-2-phenyl-1H-pyrazol-3-one is sourced from PubChem (CID 57248062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).