N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide

C16H17N5O2 — CID 166201758

IUPACN-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCN(CCn1cccn1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H17N5O2/c1-20(9-10-21-8-4-7-17-21)15(22)11-14-12-5-2-3-6-13(12)16(23)19-18-14/h2-8H,9-11H2,1H3,(H,19,23)
InChIKeyWDDFMOBRKQRYMG-UHFFFAOYSA-N
MW311.34 g/mol
LogP0.82
Rot. Bonds5

About N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide

N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide (PubChem CID 166201758) has the molecular formula C16H17N5O2 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
PubChem CID166201758
Molecular FormulaC16H17N5O2
Molecular Weight311.34 g/mol
Exact Mass311.14
IUPAC NameN-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide
SMILESCN(CCn1cccn1)C(=O)Cc1n[nH]c(=O)c2ccccc12
InChIInChI=1S/C16H17N5O2/c1-20(9-10-21-8-4-7-17-21)15(22)11-14-12-5-2-3-6-13(12)16(23)19-18-14/h2-8H,9-11H2,1H3,(H,19,23)
InChIKeyWDDFMOBRKQRYMG-UHFFFAOYSA-N
XLogP0.82
TPSA83.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide (CID 166201758) is N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide is CN(CCn1cccn1)C(=O)Cc1n[nH]c(=O)c2ccccc12.
What is the InChIKey of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
The InChIKey is WDDFMOBRKQRYMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-20(9-10-21-8-4-7-17-21)15(22)11-14-12-5-2-3-6-13(12)16(23)19-18-14/h2-8H,9-11H2,1H3,(H,19,23).
What are the key properties of N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide?
N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide has a molecular weight of 311.34 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-oxo-3H-phthalazin-1-yl)-N-(2-pyrazol-1-ylethyl)acetamide is sourced from PubChem (CID 166201758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).