7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one

C13H12N4O — CID 166397073

IUPAC7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one
SMILESCc1ccc2cnn(-c3ccn(C)n3)c(=O)c2c1
InChIInChI=1S/C13H12N4O/c1-9-3-4-10-8-14-17(13(18)11(10)7-9)12-5-6-16(2)15-12/h3-8H,1-2H3
InChIKeyAXBICZRGHFRVOO-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.43
Rot. Bonds1

About 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one

7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one (PubChem CID 166397073) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one.

Molecular Properties

Compound Name7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one
PubChem CID166397073
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one
SMILESCc1ccc2cnn(-c3ccn(C)n3)c(=O)c2c1
InChIInChI=1S/C13H12N4O/c1-9-3-4-10-8-14-17(13(18)11(10)7-9)12-5-6-16(2)15-12/h3-8H,1-2H3
InChIKeyAXBICZRGHFRVOO-UHFFFAOYSA-N
XLogP1.43
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one?
The IUPAC name of 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one (CID 166397073) is 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one.
What is the SMILES notation for 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one?
The canonical SMILES for 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one is Cc1ccc2cnn(-c3ccn(C)n3)c(=O)c2c1.
What is the InChIKey of 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one?
The InChIKey is AXBICZRGHFRVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-9-3-4-10-8-14-17(13(18)11(10)7-9)12-5-6-16(2)15-12/h3-8H,1-2H3.
What are the key properties of 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one?
7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one has a molecular weight of 240.27 g/mol, XLogP of 1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-(1-methylpyrazol-3-yl)phthalazin-1-one is sourced from PubChem (CID 166397073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).