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

C18H14ClN5O — CID 11617275

IUPAC2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H14ClN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyDFYXAPVQNGLJHI-UHFFFAOYSA-N
MW351.80 g/mol
LogP3.81
Rot. Bonds3

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

2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (PubChem CID 11617275) has the molecular formula C18H14ClN5O and a molecular weight of 351.80 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
PubChem CID11617275
Molecular FormulaC18H14ClN5O
Molecular Weight351.80 g/mol
Exact Mass351.09
IUPAC Name2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one
SMILESCc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n[nH]1
InChIInChI=1S/C18H14ClN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23)
InChIKeyDFYXAPVQNGLJHI-UHFFFAOYSA-N
XLogP3.81
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.80
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N1-(3-phenyl-1H-pyrazol-5-yl)-4-chlorobenzamide
CID 339736
4-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330974
3-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330979
2-chloro-N-(5-cyclopropyl-1H-pyrazol-3-yl)benzamide
CID 5330983
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
N-(3-(4-chlorophenyl)-1H-pyrazol-5-yl)-2,3-dihydro-1H-indene-2-carboxamide
CID 2821670
N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-2-naphthalen-1-yl-acetamide
CID 10872140
N-[5-(4-Chloro-phenyl)-1H-pyrazol-3-yl]-2-naphthalen-2-yl-acetamide
CID 11002935
N-[5-(4-Chloro-phenyl)-2H-pyrazol-3-yl]-2-phenyl-acetamide
CID 11056043
Indan-2-carboxylic acid [5-(3-chloro-phenyl)-1H-pyrazol-3-yl]-amide
CID 11078256

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The IUPAC name of 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one (CID 11617275) is 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The canonical SMILES for 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is Cc1cc(Nc2nn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n[nH]1.
What is the InChIKey of 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
The InChIKey is DFYXAPVQNGLJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O/c1-11-10-16(22-21-11)20-17-14-4-2-3-5-15(14)18(25)24(23-17)13-8-6-12(19)7-9-13/h2-10H,1H3,(H2,20,21,22,23).
What are the key properties of 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one?
2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one has a molecular weight of 351.80 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-4-[(5-methyl-1H-pyrazol-3-yl)amino]phthalazin-1-one is sourced from PubChem (CID 11617275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).