5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide

C21H19N5O2 — CID 90489886

IUPAC5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2nn(C)c(=O)c3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C21H19N5O2/c1-14-18(12-23-26(14)15-8-4-3-5-9-15)20(27)22-13-19-16-10-6-7-11-17(16)21(28)25(2)24-19/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyYNWOSOHDYQCPEJ-UHFFFAOYSA-N
MW373.42 g/mol
LogP2.36
Rot. Bonds4

About 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide

5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide (PubChem CID 90489886) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
PubChem CID90489886
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide
SMILESCc1c(C(=O)NCc2nn(C)c(=O)c3ccccc23)cnn1-c1ccccc1
InChIInChI=1S/C21H19N5O2/c1-14-18(12-23-26(14)15-8-4-3-5-9-15)20(27)22-13-19-16-10-6-7-11-17(16)21(28)25(2)24-19/h3-12H,13H2,1-2H3,(H,22,27)
InChIKeyYNWOSOHDYQCPEJ-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-methyl-1-phenyl-N-(pyridin-4-ylmethyl)pyrazole-4-carboxamide
CID 46139091
3,5-dimethyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489923
N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 90489856
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 3827367
N-[(3-fluorophenyl)methyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 94048318
5-methyl-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
CID 11098783
2,3-dimethoxy-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489934
4-fluoro-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]benzamide
CID 90489941
5-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 108737353
5-methyl-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 34317853
5-methyl-N-[(1-methyl-3-pyrazin-2-ylpyrazol-5-yl)methyl]-1-phenylpyrazole-4-carboxamide
CID 121020006
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 120652379

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The IUPAC name of 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide (CID 90489886) is 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide is Cc1c(C(=O)NCc2nn(C)c(=O)c3ccccc23)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide?
The InChIKey is YNWOSOHDYQCPEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-14-18(12-23-26(14)15-8-4-3-5-9-15)20(27)22-13-19-16-10-6-7-11-17(16)21(28)25(2)24-19/h3-12H,13H2,1-2H3,(H,22,27).
What are the key properties of 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide?
5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methyl-4-oxophthalazin-1-yl)methyl]-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 90489886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).