N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C20H16BrN5O2 — CID 55699275

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccccc2-n2cc(Br)cn2)c2ccccc2c1=O
InChIInChI=1S/C20H16BrN5O2/c1-25-20(28)15-7-3-2-6-14(15)17(24-25)10-19(27)23-16-8-4-5-9-18(16)26-12-13(21)11-22-26/h2-9,11-12H,10H2,1H3,(H,23,27)
InChIKeyHQPRALBTFHGJIE-UHFFFAOYSA-N
MW438.29 g/mol
LogP3.06
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55699275) has the molecular formula C20H16BrN5O2 and a molecular weight of 438.29 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55699275
Molecular FormulaC20H16BrN5O2
Molecular Weight438.29 g/mol
Exact Mass437.05
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCn1nc(CC(=O)Nc2ccccc2-n2cc(Br)cn2)c2ccccc2c1=O
InChIInChI=1S/C20H16BrN5O2/c1-25-20(28)15-7-3-2-6-14(15)17(24-25)10-19(27)23-16-8-4-5-9-18(16)26-12-13(21)11-22-26/h2-9,11-12H,10H2,1H3,(H,23,27)
InChIKeyHQPRALBTFHGJIE-UHFFFAOYSA-N
XLogP3.06
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-(4-bromo-2-fluorophenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 5077744
2-(5-bromo-2-oxo-1-pyridinyl)-N-[2-(4-bromopyrazol-1-yl)phenyl]acetamide
CID 55764653
N-(2-butan-2-ylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 16604825
2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
CID 646119
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55975870
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 154836216
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55699495
2-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]-N-[(4-methylphenyl)methyl]benzamide
CID 55466633
N-(2-methyl-1,3-dioxoisoindol-5-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17321943
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 86933649

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55699275) is N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cn1nc(CC(=O)Nc2ccccc2-n2cc(Br)cn2)c2ccccc2c1=O.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is HQPRALBTFHGJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16BrN5O2/c1-25-20(28)15-7-3-2-6-14(15)17(24-25)10-19(27)23-16-8-4-5-9-18(16)26-12-13(21)11-22-26/h2-9,11-12H,10H2,1H3,(H,23,27).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 438.29 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55699275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).