2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide

C16H19N5O2 — CID 56874919

IUPAC2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
SMILESCC1=NN(CC(=O)NCCn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C16H19N5O2/c1-12-6-8-20(19-12)11-15(22)17-7-9-21-16(23)14-5-3-2-4-13(14)10-18-21/h2-5,10H,6-9,11H2,1H3,(H,17,22)
InChIKeyBRNIYDQTVGTDBA-UHFFFAOYSA-N
MW313.36 g/mol
LogP0.59
Rot. Bonds5

About 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide

2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide (PubChem CID 56874919) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
PubChem CID56874919
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC Name2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide
SMILESCC1=NN(CC(=O)NCCn2ncc3ccccc3c2=O)CC1
InChIInChI=1S/C16H19N5O2/c1-12-6-8-20(19-12)11-15(22)17-7-9-21-16(23)14-5-3-2-4-13(14)10-18-21/h2-5,10H,6-9,11H2,1H3,(H,17,22)
InChIKeyBRNIYDQTVGTDBA-UHFFFAOYSA-N
XLogP0.59
TPSA79.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-hydroxypropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 110886182
N-nonyl-2-(1-oxophthalazin-2-yl)acetamide
CID 46576898
N-[2-(cycloheptylamino)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 119619251
N-(2-methylpropyl)-2-(1-oxophthalazin-2-yl)acetamide
CID 9369051
2-[2-(3-methylanilino)ethyl]phthalazin-1-one
CID 62564352
2-(2-methylimidazol-1-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]propanamide
CID 119063187
ethyl (3S)-3-[2-(1-oxophthalazin-2-yl)ethylamino]pyrrolidine-1-carboxylate
CID 125443421
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide
CID 155503014
2-[2-(2-methylanilino)ethyl]phthalazin-1-one
CID 62562795
2-(3-oxobutyl)phthalazin-1-one
CID 60724062
N-[2-(4-chlorophenyl)ethyl]-2-(1-oxophthalazin-2-yl)acetamide
CID 7694826
N-[2-(1-oxophthalazin-2-yl)ethyl]-6,7,8,9-tetrahydro-5H-imidazo[1,2-d][1,4]diazepine-2-carboxamide;hydrochloride
CID 155937998

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide?
The IUPAC name of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide (CID 56874919) is 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide is CC1=NN(CC(=O)NCCn2ncc3ccccc3c2=O)CC1.
What is the InChIKey of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide?
The InChIKey is BRNIYDQTVGTDBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-12-6-8-20(19-12)11-15(22)17-7-9-21-16(23)14-5-3-2-4-13(14)10-18-21/h2-5,10H,6-9,11H2,1H3,(H,17,22).
What are the key properties of 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide?
2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide has a molecular weight of 313.36 g/mol, XLogP of 0.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3,4-dihydropyrazol-2-yl)-N-[2-(1-oxophthalazin-2-yl)ethyl]acetamide is sourced from PubChem (CID 56874919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).