N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide

C20H17N5O2 — CID 55574993

IUPACN-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H17N5O2/c26-19(14-25-20(27)17-9-5-4-8-16(17)12-22-25)23-18-10-11-21-24(18)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,26)
InChIKeyLGLBYYAMDQQXAS-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.28
Rot. Bonds5

About N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide

N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide (PubChem CID 55574993) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide
PubChem CID55574993
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC NameN-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1ccccc1
InChIInChI=1S/C20H17N5O2/c26-19(14-25-20(27)17-9-5-4-8-16(17)12-22-25)23-18-10-11-21-24(18)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,26)
InChIKeyLGLBYYAMDQQXAS-UHFFFAOYSA-N
XLogP2.28
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(1-benzylpiperidin-4-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 35558093
2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
CID 55954402
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 30804121
2-phenacylphthalazin-1-one
CID 60774188
methyl 4-[[2-(1-oxophthalazin-2-yl)acetyl]amino]benzoate
CID 27687032
N-(2-benzylpyrazol-3-yl)-2-(1H-indol-3-yl)acetamide
CID 17467956
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369041
2-(1-oxophthalazin-2-yl)-N-[phenyl(pyridin-2-yl)methyl]acetamide
CID 46569616
N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-[(2S)-butan-2-yl]-2-(1-oxophthalazin-2-yl)acetamide
CID 9369028
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051

Frequently Asked Questions

What is the IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide?
The IUPAC name of N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide (CID 55574993) is N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide.
What is the SMILES notation for N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide?
The canonical SMILES for N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide is O=C(Cn1ncc2ccccc2c1=O)Nc1ccnn1Cc1ccccc1.
What is the InChIKey of N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide?
The InChIKey is LGLBYYAMDQQXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c26-19(14-25-20(27)17-9-5-4-8-16(17)12-22-25)23-18-10-11-21-24(18)13-15-6-2-1-3-7-15/h1-12H,13-14H2,(H,23,26).
What are the key properties of N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide?
N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide has a molecular weight of 359.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzylpyrazol-3-yl)-2-(1-oxophthalazin-2-yl)acetamide is sourced from PubChem (CID 55574993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).