6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one

C16H12N4O2 — CID 10039958

IUPAC6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one
SMILESCOc1ccccc1-c1cccc2c1nnc1c(=O)[nH][nH]c12
InChIInChI=1S/C16H12N4O2/c1-22-12-8-3-2-5-9(12)10-6-4-7-11-13(10)17-19-15-14(11)18-20-16(15)21/h2-8H,1H3,(H2,18,20,21)
InChIKeyGERGJQRCGWRRED-UHFFFAOYSA-N
MW292.30 g/mol
LogP2.47
Rot. Bonds2

About 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one

6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one (PubChem CID 10039958) has the molecular formula C16H12N4O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one.

Molecular Properties

Compound Name6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one
PubChem CID10039958
Molecular FormulaC16H12N4O2
Molecular Weight292.30 g/mol
Exact Mass292.10
IUPAC Name6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one
SMILESCOc1ccccc1-c1cccc2c1nnc1c(=O)[nH][nH]c12
InChIInChI=1S/C16H12N4O2/c1-22-12-8-3-2-5-9(12)10-6-4-7-11-13(10)17-19-15-14(11)18-20-16(15)21/h2-8H,1H3,(H2,18,20,21)
InChIKeyGERGJQRCGWRRED-UHFFFAOYSA-N
XLogP2.47
TPSA83.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one?
The IUPAC name of 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one (CID 10039958) is 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one.
What is the SMILES notation for 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one?
The canonical SMILES for 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one is COc1ccccc1-c1cccc2c1nnc1c(=O)[nH][nH]c12.
What is the InChIKey of 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one?
The InChIKey is GERGJQRCGWRRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4O2/c1-22-12-8-3-2-5-9(12)10-6-4-7-11-13(10)17-19-15-14(11)18-20-16(15)21/h2-8H,1H3,(H2,18,20,21).
What are the key properties of 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one?
6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one has a molecular weight of 292.30 g/mol, XLogP of 2.47, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyphenyl)-1,2-dihydropyrazolo[4,3-c]cinnolin-3-one is sourced from PubChem (CID 10039958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).