3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide

C21H19N5O2 — CID 8810791

IUPAC3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H19N5O2/c1-14-7-9-15(10-8-14)13-26-18(11-12-22-26)23-20(27)19-16-5-3-4-6-17(16)21(28)25(2)24-19/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyOHXDVHRVAQWGOR-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.74
Rot. Bonds4

About 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide

3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide (PubChem CID 8810791) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide.

Molecular Properties

Compound Name3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide
PubChem CID8810791
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide
SMILESCc1ccc(Cn2nccc2NC(=O)c2nn(C)c(=O)c3ccccc23)cc1
InChIInChI=1S/C21H19N5O2/c1-14-7-9-15(10-8-14)13-26-18(11-12-22-26)23-20(27)19-16-5-3-4-6-17(16)21(28)25(2)24-19/h3-12H,13H2,1-2H3,(H,23,27)
InChIKeyOHXDVHRVAQWGOR-UHFFFAOYSA-N
XLogP2.74
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(furan-2-ylmethyl)pyrazol-3-yl]-3-methyl-4-oxophthalazine-1-carboxamide
CID 9450575
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-hexyl-4-oxophthalazine-1-carboxamide
CID 16560074
N-(3,5-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2710143
N-(2,4-dimethylphenyl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 2704863
N-(1-benzylpyrazol-4-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 55983536
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-2-carboxamide
CID 53045619
N-(4,6-dichloro-2-methylpyrimidin-5-yl)-3-methyl-4-oxophthalazine-1-carboxamide
CID 4798591
N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-methylsulfanylbenzamide
CID 112797938
N-[2-[(3-bromophenyl)methyl]pyrazol-3-yl]-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55776652
6-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxochromene-3-carboxamide
CID 35673443
N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-4-oxo-3-pentylphthalazine-1-carboxamide
CID 55434837
2-(3,4-dichlorophenyl)-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 8810777

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide?
The IUPAC name of 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide (CID 8810791) is 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide.
What is the SMILES notation for 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide?
The canonical SMILES for 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide is Cc1ccc(Cn2nccc2NC(=O)c2nn(C)c(=O)c3ccccc23)cc1.
What is the InChIKey of 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide?
The InChIKey is OHXDVHRVAQWGOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-7-9-15(10-8-14)13-26-18(11-12-22-26)23-20(27)19-16-5-3-4-6-17(16)21(28)25(2)24-19/h3-12H,13H2,1-2H3,(H,23,27).
What are the key properties of 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide?
3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[(4-methylphenyl)methyl]pyrazol-3-yl]-4-oxophthalazine-1-carboxamide is sourced from PubChem (CID 8810791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).