N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide

C15H12ClN5O2 — CID 135636117

IUPACN-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
SMILESCc1nn2c(c1C#N)NC(=O)C2CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O2/c1-8-9(7-17)14-19-15(23)12(21(14)20-8)6-13(22)18-11-5-3-2-4-10(11)16/h2-5,12H,6H2,1H3,(H,18,22)(H,19,23)
InChIKeyKZZLMSNHQMELJO-UHFFFAOYSA-N
MW329.75 g/mol
LogP2.24
Rot. Bonds3

About N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide

N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide (PubChem CID 135636117) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
PubChem CID135636117
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC NameN-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
SMILESCc1nn2c(c1C#N)NC(=O)C2CC(=O)Nc1ccccc1Cl
InChIInChI=1S/C15H12ClN5O2/c1-8-9(7-17)14-19-15(23)12(21(14)20-8)6-13(22)18-11-5-3-2-4-10(11)16/h2-5,12H,6H2,1H3,(H,18,22)(H,19,23)
InChIKeyKZZLMSNHQMELJO-UHFFFAOYSA-N
XLogP2.24
TPSA99.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-methylphenyl)-2-[(6R)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135901864
2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
CID 136728314
N-(2,5-dichlorophenyl)-2-(2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649913
2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 136742030
N-(2,5-dichlorophenyl)-2-[2-(4-methylphenyl)-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]acetamide
CID 135650006
N-(2,4-dichlorophenyl)-2-(5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649897
N-(2-fluorophenyl)-2-(2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
CID 135634981
2-[(6S)-2-benzylsulfanyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(2,4-dichlorophenyl)acetamide
CID 135904118
(2R)-2-[2-(2-chloroanilino)-2-oxoethyl]-N-cyclohexyl-3-oxopiperazine-1-carboxamide
CID 41281654
N-(3-chloro-2-methylphenyl)-2-(5-cyano-6-methyl-2-oxo-3,4-dihydro-1H-pyridin-3-yl)acetamide
CID 155294610
N-(2-chlorophenyl)-2-[2-(diethylamino)-4-oxo-1,3-thiazol-5-yl]acetamide
CID 17420291
N-(2,5-dimethylphenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135629878

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide?
The IUPAC name of N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide (CID 135636117) is N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide.
What is the SMILES notation for N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide?
The canonical SMILES for N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide is Cc1nn2c(c1C#N)NC(=O)C2CC(=O)Nc1ccccc1Cl.
What is the InChIKey of N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide?
The InChIKey is KZZLMSNHQMELJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c1-8-9(7-17)14-19-15(23)12(21(14)20-8)6-13(22)18-11-5-3-2-4-10(11)16/h2-5,12H,6H2,1H3,(H,18,22)(H,19,23).
What are the key properties of N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide?
N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide has a molecular weight of 329.75 g/mol, XLogP of 2.24, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide is sourced from PubChem (CID 135636117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).