3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one

C13H10N2O2 — CID 12720076

IUPAC3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one
SMILESCc1[nH]nc2c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C13H10N2O2/c1-8-10-7-11(9-5-3-2-4-6-9)17-13(16)12(10)15-14-8/h2-7H,1H3,(H,14,15)
InChIKeyNXJHUPNTTPFIIR-UHFFFAOYSA-N
MW226.24 g/mol
LogP2.49
Rot. Bonds1

About 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one

3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one (PubChem CID 12720076) has the molecular formula C13H10N2O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one.

Molecular Properties

Compound Name3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one
PubChem CID12720076
Molecular FormulaC13H10N2O2
Molecular Weight226.24 g/mol
Exact Mass226.07
IUPAC Name3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one
SMILESCc1[nH]nc2c(=O)oc(-c3ccccc3)cc12
InChIInChI=1S/C13H10N2O2/c1-8-10-7-11(9-5-3-2-4-6-9)17-13(16)12(10)15-14-8/h2-7H,1H3,(H,14,15)
InChIKeyNXJHUPNTTPFIIR-UHFFFAOYSA-N
XLogP2.49
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methyl-2-phenylfuro[2,3-b]pyran-4-one
CID 101041233
6-methyl-3-phenyl-7H-pyrano[3,4-c]pyridine-1,8-dione
CID 24773442
3-phenylbenzo[g]isochromen-1-one
CID 10849789
4,11-diphenyl-3,8,12-trioxatricyclo[7.4.0.02,6]trideca-1(9),2(6),4,10-tetraene-7,13-dione
CID 12027710
5-methyl-2-phenylfuro[2,3-d]pyridazin-4-one
CID 11390498
8-phenyl-[1,3]dioxolo[4,5-f]isochromen-6-one
CID 139694615
4-bromo-3,6-diphenylpyran-2-one
CID 100914705
7-chloro-3-phenylisochromen-1-one
CID 62706099
ethyl 1,8-dioxo-3,6-diphenylpyrano[3,4-c]pyran-4-carboxylate
CID 24774597
methyl 4-methoxy-2-oxo-6-phenylpyran-3-carboxylate
CID 14000298
6-(4-methylsulfanylphenyl)-3,4-diphenylpyran-2-one
CID 11428674
14-phenyl-15-oxa-10-azatetracyclo[8.8.0.02,7.012,17]octadeca-1(18),2,4,6,8,12(17),13-heptaene-11,16-dione
CID 102326334

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one?
The IUPAC name of 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one (CID 12720076) is 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one.
What is the SMILES notation for 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one?
The canonical SMILES for 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one is Cc1[nH]nc2c(=O)oc(-c3ccccc3)cc12.
What is the InChIKey of 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one?
The InChIKey is NXJHUPNTTPFIIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2/c1-8-10-7-11(9-5-3-2-4-6-9)17-13(16)12(10)15-14-8/h2-7H,1H3,(H,14,15).
What are the key properties of 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one?
3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one has a molecular weight of 226.24 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-phenyl-2H-pyrano[3,4-c]pyrazol-7-one is sourced from PubChem (CID 12720076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).