4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one

C19H14N2O3 — CID 102170831

IUPAC4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2oc(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C19H14N2O3/c1-12-15-17(22)16(13-8-4-2-5-9-13)19(23)24-18(15)21(20-12)14-10-6-3-7-11-14/h2-11,22H,1H3
InChIKeyLOOZRBSLZPRVLA-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.66
Rot. Bonds2

About 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one

4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one (PubChem CID 102170831) has the molecular formula C19H14N2O3 and a molecular weight of 318.33 g/mol. Its IUPAC name is 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one.

Molecular Properties

Compound Name4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
PubChem CID102170831
Molecular FormulaC19H14N2O3
Molecular Weight318.33 g/mol
Exact Mass318.10
IUPAC Name4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one
SMILESCc1nn(-c2ccccc2)c2oc(=O)c(-c3ccccc3)c(O)c12
InChIInChI=1S/C19H14N2O3/c1-12-15-17(22)16(13-8-4-2-5-9-13)19(23)24-18(15)21(20-12)14-10-6-3-7-11-14/h2-11,22H,1H3
InChIKeyLOOZRBSLZPRVLA-UHFFFAOYSA-N
XLogP3.66
TPSA68.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,6-dimethyl-3-phenyl-[1]benzofuro[3,2-d]pyrazole-5,8-diol
CID 135070489
methyl 4-hydroxy-2,5-dioxo-3,6-diphenylpyrano[2,3-d]pyridazine-8-carboxylate
CID 54712141
3-methyl-1,4-diphenylpyrazolo[4,5-d][1,3]oxazol-5-one
CID 13007928
4,5-dihydroxy-7-methyl-3-phenylchromen-2-one
CID 174942178
2-[3,4-dimethyl-1-(4-methylphenyl)-6-oxopyrano[3,2-d]pyrazol-5-yl]acetic acid
CID 50888643
2-[3,4-dimethyl-1-(3-methylphenyl)-6-oxopyrano[3,2-d]pyrazol-5-yl]acetic acid
CID 50888973
ethyl 3-methyl-4-oxo-1-phenylpyrano[3,2-d]pyrazole-6-carboxylate
CID 10851602
6-bromo-3-methyl-1-phenylchromeno[3,2-d]pyrazol-4-one
CID 10383537
5-amino-3-methyl-1-phenylfuro[3,2-d]pyrazole-4-carbonitrile
CID 15647581
4-hydroxy-1,3-dimethyl-5-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
CID 135520434
2-(3,5-dimethyl-1,4-diphenylpyrazolo[5,4-b]pyridin-6-yl)benzo[f]chromen-3-one
CID 150484079
3-methyl-4,6-diphenylpyrazolo[4,5-d][1,2]oxazole
CID 86154193

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one?
The IUPAC name of 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one (CID 102170831) is 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one.
What is the SMILES notation for 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one?
The canonical SMILES for 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one is Cc1nn(-c2ccccc2)c2oc(=O)c(-c3ccccc3)c(O)c12.
What is the InChIKey of 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one?
The InChIKey is LOOZRBSLZPRVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3/c1-12-15-17(22)16(13-8-4-2-5-9-13)19(23)24-18(15)21(20-12)14-10-6-3-7-11-14/h2-11,22H,1H3.
What are the key properties of 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one?
4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one has a molecular weight of 318.33 g/mol, XLogP of 3.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methyl-1,5-diphenylpyrano[3,2-d]pyrazol-6-one is sourced from PubChem (CID 102170831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).