3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide

C21H19N5O3 — CID 90490047

IUPAC3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2nn(C)c(=O)c3ccccc23)[nH]n1
InChIInChI=1S/C21H19N5O3/c1-26-21(28)14-8-4-3-7-13(14)18(25-26)12-22-20(27)17-11-16(23-24-17)15-9-5-6-10-19(15)29-2/h3-11H,12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyUHQXCSFUKHKMOM-UHFFFAOYSA-N
MW389.42 g/mol
LogP2.26
Rot. Bonds5

About 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 90490047) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID90490047
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Name3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCc2nn(C)c(=O)c3ccccc23)[nH]n1
InChIInChI=1S/C21H19N5O3/c1-26-21(28)14-8-4-3-7-13(14)18(25-26)12-22-20(27)17-11-16(23-24-17)15-9-5-6-10-19(15)29-2/h3-11H,12H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyUHQXCSFUKHKMOM-UHFFFAOYSA-N
XLogP2.26
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-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

2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
6-methoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-indole-2-carboxamide
CID 71779476
N-[[3-(furan-3-yl)pyrazin-2-yl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 122162980
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
1-[(3-methyl-4-oxophthalazin-1-yl)methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 71779482
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-(2-methylphenoxy)acetamide
CID 90489979
3-(2-methoxyphenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 126851451
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
N-hydroxy-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71601258
3-(2-methoxyphenyl)-N-[2-(4-oxothieno[2,3-d]pyrimidin-3-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 91819120
N-[[2-(furan-2-yl)-4-pyridinyl]methyl]-3-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91817235
3-(2-methoxyphenyl)-N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-1H-pyrazole-5-carboxamide
CID 121165473

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide (CID 90490047) is 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)NCc2nn(C)c(=O)c3ccccc23)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UHQXCSFUKHKMOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-26-21(28)14-8-4-3-7-13(14)18(25-26)12-22-20(27)17-11-16(23-24-17)15-9-5-6-10-19(15)29-2/h3-11H,12H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 90490047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).