4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one

C18H15N5O — CID 11652621

IUPAC4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyDSDIWWSXOOXFSI-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.16
Rot. Bonds3

About 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one

4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one (PubChem CID 11652621) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one.

Molecular Properties

Compound Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one
PubChem CID11652621
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22)
InChIKeyDSDIWWSXOOXFSI-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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Related Compounds

Pnu-292137
CID 449087
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CID 4156919
N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
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N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
(2S)-N-(5-Cyclopropyl-1H-pyrazol-3-yl)-2-[4-(1-oxo-1,3-dihydro-2H-isoindol-2-yl)phenyl]propanamide
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N-(5-Cyclopropyl-1h-Pyrazol-3-Yl)benzene-1,4-Dicarboxamide
CID 5330977
4-bromo-N-(5-cyclohexyl-1H-pyrazol-3-yl)benzamide
CID 5330989
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-phenylacetamide
CID 5330998
4-{[(5-cyclopropyl-1H-pyrazol-3-yl)carbamoyl]methyl}benzamide
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N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-phenylphenyl)acetamide
CID 5331003
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[4-(3-methylphenyl)phenyl]acetamide
CID 5331005

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one?
The IUPAC name of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one (CID 11652621) is 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one.
What is the SMILES notation for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one?
The canonical SMILES for 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one is Cc1cc(Nc2nn(-c3ccccc3)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one?
The InChIKey is DSDIWWSXOOXFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-12-11-16(21-20-12)19-17-14-9-5-6-10-15(14)18(24)23(22-17)13-7-3-2-4-8-13/h2-11H,1H3,(H2,19,20,21,22).
What are the key properties of 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one?
4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-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 4-[(5-methyl-1H-pyrazol-3-yl)amino]-2-phenylphthalazin-1-one is sourced from PubChem (CID 11652621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).