N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

C23H22BrN5O2 — CID 55672343

IUPACN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCc1cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C23H22BrN5O2/c1-14(2)13-28-23(31)19-10-5-4-9-18(19)21(27-28)22(30)25-20-11-15(3)26-29(20)17-8-6-7-16(24)12-17/h4-12,14H,13H2,1-3H3,(H,25,30)
InChIKeyFMQBZRKROQJZJT-UHFFFAOYSA-N
MW480.37 g/mol
LogP4.56
Rot. Bonds5

About N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide

N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (PubChem CID 55672343) has the molecular formula C23H22BrN5O2 and a molecular weight of 480.37 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
PubChem CID55672343
Molecular FormulaC23H22BrN5O2
Molecular Weight480.37 g/mol
Exact Mass479.10
IUPAC NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
SMILESCc1cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C23H22BrN5O2/c1-14(2)13-28-23(31)19-10-5-4-9-18(19)21(27-28)22(30)25-20-11-15(3)26-29(20)17-8-6-7-16(24)12-17/h4-12,14H,13H2,1-3H3,(H,25,30)
InChIKeyFMQBZRKROQJZJT-UHFFFAOYSA-N
XLogP4.56
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.37
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide 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

N-(3,5-dimethylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 3944118
[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl] 3-(2-methylpropyl)-4-oxophthalazine-1-carboxylate
CID 55365903
3-(2-methylpropyl)-4-oxo-N-(2,4,6-trimethyl-3-pyridinyl)phthalazine-1-carboxamide
CID 78859773
N-(3,5-difluorophenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 134061493
N-(4-chloro-2-methylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 4815704
3-(2-methylpropyl)-4-oxo-N-pyridin-2-ylphthalazine-1-carboxamide
CID 51194000
3-(2-methylpropyl)-4-oxo-N-(4-phenylphenyl)phthalazine-1-carboxamide
CID 7925968
N-(2-acetylphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51148476
3-(2-methylpropyl)-4-oxo-N-[3-(sulfamoylamino)phenyl]phthalazine-1-carboxamide
CID 55551620
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-2,3-dichlorobenzamide
CID 55643391
N-(3,4-dimethoxyphenyl)-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide
CID 51159012
3-(2-methylpropyl)-4-oxo-N-(4-propylphenyl)phthalazine-1-carboxamide
CID 9293948

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide (CID 55672343) is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The canonical SMILES for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is Cc1cc(NC(=O)c2nn(CC(C)C)c(=O)c3ccccc23)n(-c2cccc(Br)c2)n1.
What is the InChIKey of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
The InChIKey is FMQBZRKROQJZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22BrN5O2/c1-14(2)13-28-23(31)19-10-5-4-9-18(19)21(27-28)22(30)25-20-11-15(3)26-29(20)17-8-6-7-16(24)12-17/h4-12,14H,13H2,1-3H3,(H,25,30).
What are the key properties of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide?
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide has a molecular weight of 480.37 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-3-(2-methylpropyl)-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 55672343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).