2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

C20H17N5O2 — CID 46423982

IUPAC2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H17N5O2/c26-19(12-18-16-7-1-2-8-17(16)20(27)24-23-18)22-15-6-3-5-14(11-15)13-25-10-4-9-21-25/h1-11H,12-13H2,(H,22,26)(H,24,27)
InChIKeyWWZCUFKXCRDEES-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.35
Rot. Bonds5

About 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide

2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (PubChem CID 46423982) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
PubChem CID46423982
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
SMILESO=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(Cn2cccn2)c1
InChIInChI=1S/C20H17N5O2/c26-19(12-18-16-7-1-2-8-17(16)20(27)24-23-18)22-15-6-3-5-14(11-15)13-25-10-4-9-21-25/h1-11H,12-13H2,(H,22,26)(H,24,27)
InChIKeyWWZCUFKXCRDEES-UHFFFAOYSA-N
XLogP2.35
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide 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

2-(5-methyl-1H-pyrazol-3-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 71922145
N-(3-methylsulfanylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4802653
2-amino-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 43697313
2-(2-methoxyphenyl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39695127
4-oxo-N-[3-[(4-oxo-3H-phthalazin-1-yl)methyl]phenyl]butanamide
CID 88999580
N-naphthalen-1-yl-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 17403437
2-(4-ethoxyphenoxy)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide
CID 39694973
1-[[2-(hydroxymethyl)phenyl]methyl]-3-[3-(pyrazol-1-ylmethyl)phenyl]urea
CID 51102569
2-(4-oxo-3H-phthalazin-1-yl)-N-(5-phenyl-1H-pyrazol-3-yl)acetamide
CID 166198338
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 4833881
N-(2-ethylphenyl)-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 8839355
N-[4-(ethylsulfanylmethyl)-2-pyridinyl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 167955554

Frequently Asked Questions

What is the IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide (CID 46423982) is 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is O=C(Cc1n[nH]c(=O)c2ccccc12)Nc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
The InChIKey is WWZCUFKXCRDEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19(12-18-16-7-1-2-8-17(16)20(27)24-23-18)22-15-6-3-5-14(11-15)13-25-10-4-9-21-25/h1-11H,12-13H2,(H,22,26)(H,24,27).
What are the key properties of 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide?
2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-oxo-3H-phthalazin-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 46423982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).