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

C19H17N5O — CID 11681497

IUPAC2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N5O/c1-12-7-9-14(10-8-12)24-19(25)16-6-4-3-5-15(16)18(23-24)20-17-11-13(2)21-22-17/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyRADYPHHNLDAXRN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.47
Rot. Bonds3

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

2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11681497) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11681497
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1
InChIInChI=1S/C19H17N5O/c1-12-7-9-14(10-8-12)24-19(25)16-6-4-3-5-15(16)18(23-24)20-17-11-13(2)21-22-17/h3-11H,1-2H3,(H2,20,21,22,23)
InChIKeyRADYPHHNLDAXRN-UHFFFAOYSA-N
XLogP3.47
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pnu-292137
CID 449087
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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
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CID 5331005
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(naphthalen-1-yl)acetamide
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3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11681497) is 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is Cc1ccc(-n2nc(Nc3cc(C)[nH]n3)c3ccccc3c2=O)cc1.
What is the InChIKey of 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is RADYPHHNLDAXRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-12-7-9-14(10-8-12)24-19(25)16-6-4-3-5-15(16)18(23-24)20-17-11-13(2)21-22-17/h3-11H,1-2H3,(H2,20,21,22,23).
What are the key properties of 2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-(4-methylphenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one has a molecular weight of 331.38 g/mol, XLogP of 3.47, 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-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11681497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).