2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

C21H19N5O2 — CID 55954402

IUPAC2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H19N5O2/c27-20(15-26-21(28)19-8-2-1-7-18(19)13-24-26)22-12-16-5-3-6-17(11-16)14-25-10-4-9-23-25/h1-11,13H,12,14-15H2,(H,22,27)
InChIKeyQVQGXCNKRLAJIP-UHFFFAOYSA-N
MW373.42 g/mol
LogP1.96
Rot. Bonds6

About 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (PubChem CID 55954402) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
PubChem CID55954402
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide
SMILESO=C(Cn1ncc2ccccc2c1=O)NCc1cccc(Cn2cccn2)c1
InChIInChI=1S/C21H19N5O2/c27-20(15-26-21(28)19-8-2-1-7-18(19)13-24-26)22-12-16-5-3-6-17(11-16)14-25-10-4-9-23-25/h1-11,13H,12,14-15H2,(H,22,27)
InChIKeyQVQGXCNKRLAJIP-UHFFFAOYSA-N
XLogP1.96
TPSA81.81 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The IUPAC name of 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide (CID 55954402) is 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide.
What is the SMILES notation for 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The canonical SMILES for 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is O=C(Cn1ncc2ccccc2c1=O)NCc1cccc(Cn2cccn2)c1.
What is the InChIKey of 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
The InChIKey is QVQGXCNKRLAJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c27-20(15-26-21(28)19-8-2-1-7-18(19)13-24-26)22-12-16-5-3-6-17(11-16)14-25-10-4-9-23-25/h1-11,13H,12,14-15H2,(H,22,27).
What are the key properties of 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide?
2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide has a molecular weight of 373.42 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-oxophthalazin-2-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide is sourced from PubChem (CID 55954402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).