2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide

C18H21N5O2 — CID 170368979

IUPAC2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCc1ccc2c(=O)n(CC(=O)Nc3ccnn3C)nc(C(C)C)c2c1
InChIInChI=1S/C18H21N5O2/c1-11(2)17-14-9-12(3)5-6-13(14)18(25)23(21-17)10-16(24)20-15-7-8-19-22(15)4/h5-9,11H,10H2,1-4H3,(H,20,24)
InChIKeyICPPVQYGPVUBCB-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.20
Rot. Bonds4

About 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide

2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide (PubChem CID 170368979) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide
PubChem CID170368979
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC Name2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCc1ccc2c(=O)n(CC(=O)Nc3ccnn3C)nc(C(C)C)c2c1
InChIInChI=1S/C18H21N5O2/c1-11(2)17-14-9-12(3)5-6-13(14)18(25)23(21-17)10-16(24)20-15-7-8-19-22(15)4/h5-9,11H,10H2,1-4H3,(H,20,24)
InChIKeyICPPVQYGPVUBCB-UHFFFAOYSA-N
XLogP2.20
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1S)-1-cyclobutylethyl]-2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)acetamide
CID 170370128
2-[4-(1-iodoethyl)-7-methyl-1-oxophthalazin-2-yl]-N-pyrimidin-2-ylacetamide
CID 170369273
2-[6-(2-hydroxypropan-2-yl)-1-oxo-4-propan-2-ylphthalazin-2-yl]-N-pyrimidin-4-ylacetamide
CID 162364047
N-(3-methylbenzimidazol-5-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364067
2-(4-methylimidazol-1-yl)-N-(2-methylpyrazol-3-yl)acetamide
CID 46983131
2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]-N-[6-(trifluoromethyl)pyridazin-3-yl]acetamide
CID 162364299
2-(6-bromo-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(3,6-difluoro-2-pyridinyl)acetamide
CID 170318430
3-methyl-N-(2-methylpyrazol-3-yl)butanamide
CID 110470693
N-(7-methylpurin-2-yl)-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162363740
N-[5-chloro-1-(difluoromethyl)-6-oxo-3-pyridinyl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364314
N-(2,4-dimethylphenyl)-2-[1-(4-fluorophenyl)-7-oxo-4-propan-2-ylpyrazolo[4,5-d]pyridazin-6-yl]acetamide
CID 16847058
N-[6-(difluoromethyl)pyridazin-3-yl]-2-[1-oxo-4-propan-2-yl-6-(trifluoromethyl)phthalazin-2-yl]acetamide
CID 162364192

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide (CID 170368979) is 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide is Cc1ccc2c(=O)n(CC(=O)Nc3ccnn3C)nc(C(C)C)c2c1.
What is the InChIKey of 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is ICPPVQYGPVUBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-11(2)17-14-9-12(3)5-6-13(14)18(25)23(21-17)10-16(24)20-15-7-8-19-22(15)4/h5-9,11H,10H2,1-4H3,(H,20,24).
What are the key properties of 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide?
2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-1-oxo-4-propan-2-ylphthalazin-2-yl)-N-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 170368979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).