2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one

C18H15N5O — CID 11500669

IUPAC2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one
SMILESCc1ccc(-n2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H15N5O/c1-12-6-8-13(9-7-12)23-18(24)15-5-3-2-4-14(15)17(22-23)20-16-10-11-19-21-16/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyCYIVQMRMONWPKP-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.16
Rot. Bonds3

About 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one

2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one (PubChem CID 11500669) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one
PubChem CID11500669
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one
SMILESCc1ccc(-n2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1
InChIInChI=1S/C18H15N5O/c1-12-6-8-13(9-7-12)23-18(24)15-5-3-2-4-14(15)17(22-23)20-16-10-11-19-21-16/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyCYIVQMRMONWPKP-UHFFFAOYSA-N
XLogP3.16
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one?
The IUPAC name of 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one (CID 11500669) is 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one?
The canonical SMILES for 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one is Cc1ccc(-n2nc(Nc3ccn[nH]3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one?
The InChIKey is CYIVQMRMONWPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-6-8-13(9-7-12)23-18(24)15-5-3-2-4-14(15)17(22-23)20-16-10-11-19-21-16/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one?
2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one has a molecular weight of 317.35 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-4-(1H-pyrazol-5-ylamino)phthalazin-1-one is sourced from PubChem (CID 11500669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).