1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one

C15H12N2O3 — CID 23818666

IUPAC1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(c(C)nn2C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C15H12N2O3/c1-9-8-12-13(15(19)20-9)10(2)16-17(12)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyARVNMVUEFUOMFP-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.29
Rot. Bonds1

About 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one

1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one (PubChem CID 23818666) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one.

Molecular Properties

Compound Name1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one
PubChem CID23818666
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one
SMILESCc1cc2c(c(C)nn2C(=O)c2ccccc2)c(=O)o1
InChIInChI=1S/C15H12N2O3/c1-9-8-12-13(15(19)20-9)10(2)16-17(12)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3
InChIKeyARVNMVUEFUOMFP-UHFFFAOYSA-N
XLogP2.29
TPSA65.10 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzoyl-3,4-dimethylpyrano[3,2-d]pyrazol-6-one
CID 14386557
3-benzoyl-5-propan-2-yl-1,3,4-oxadiazol-2-one
CID 15507410
(5-amino-3-tert-butylpyrazol-1-yl)-phenylmethanone
CID 110471175
3-(furan-2-yl)-6-methyl-1-phenylpyrano[4,3-c]pyrazol-4-one
CID 71371747
(3-benzyl-5-methylpyrazol-1-yl)-phenylmethanone
CID 102487882
1,3,6-trimethylpyrano[4,3-b]pyrrol-4-one
CID 10012461
3-benzoyl-6-methylpyran-2-one
CID 86099445
(3-methylphenyl)-(3-methylpyrazolo[4,5-c]pyridin-1-yl)methanone
CID 162671475
phenyl-[(2S,4R)-3,3,9-trimethyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]methanone
CID 927987
5-amino-3-benzoyl-1,3,4-thiadiazol-2-one
CID 5323675
[3,5-bis(4-methoxyanilino)pyrazol-1-yl]-phenylmethanone
CID 121238403
3-benzoyl-6-methyl-1H-pyrimidine-2,4-dione
CID 11506886

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
The IUPAC name of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one (CID 23818666) is 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one.
What is the SMILES notation for 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
The canonical SMILES for 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one is Cc1cc2c(c(C)nn2C(=O)c2ccccc2)c(=O)o1.
What is the InChIKey of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
The InChIKey is ARVNMVUEFUOMFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c1-9-8-12-13(15(19)20-9)10(2)16-17(12)14(18)11-6-4-3-5-7-11/h3-8H,1-2H3.
What are the key properties of 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one?
1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one has a molecular weight of 268.27 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-3,6-dimethylpyrano[3,4-d]pyrazol-4-one is sourced from PubChem (CID 23818666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).