2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide

C20H18N4O2 — CID 136728314

IUPAC2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
SMILESCc1c(-c2ccccc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccccc1
InChIInChI=1S/C20H18N4O2/c1-13-18(14-8-4-2-5-9-14)23-24-16(20(26)22-19(13)24)12-17(25)21-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1
InChIKeyJPCVPOXBIIXZJR-INIZCTEOSA-N
MW346.39 g/mol
LogP3.38
Rot. Bonds4

About 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide

2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide (PubChem CID 136728314) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
PubChem CID136728314
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
SMILESCc1c(-c2ccccc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccccc1
InChIInChI=1S/C20H18N4O2/c1-13-18(14-8-4-2-5-9-14)23-24-16(20(26)22-19(13)24)12-17(25)21-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1
InChIKeyJPCVPOXBIIXZJR-INIZCTEOSA-N
XLogP3.38
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-6-(4-fluorophenyl)-7-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-(2-methoxyphenyl)acetamide
CID 136742030
2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide
CID 136768482
N-(4-methylphenyl)-2-[(3R)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136826173
N-(4-acetamidophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135649956
N-(3-acetylphenyl)-2-[(3R)-7-ethyl-6-(4-fluorophenyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136742048
2-[(6S)-5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(4-propan-2-ylphenyl)acetamide
CID 135902179
N-(4-fluorophenyl)-2-(5-oxo-2-phenyl-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl)acetamide
CID 135635975
N-(2-chlorophenyl)-2-(7-cyano-6-methyl-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
CID 135636117
N-(3-acetamidophenyl)-3-methyl-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655659
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(3R)-6-(methoxymethyl)-2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136768488
2-[(6R)-2-methyl-5-oxo-4,6-dihydroimidazo[1,2-b][1,2,4]triazol-6-yl]-N-(3-methylphenyl)acetamide
CID 135898452
N-(2-fluorophenyl)-2-(2-oxo-7-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl)acetamide
CID 135634981

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide (CID 136728314) is 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide is Cc1c(-c2ccccc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccccc1.
What is the InChIKey of 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide?
The InChIKey is JPCVPOXBIIXZJR-INIZCTEOSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13-18(14-8-4-2-5-9-14)23-24-16(20(26)22-19(13)24)12-17(25)21-15-10-6-3-7-11-15/h2-11,16H,12H2,1H3,(H,21,25)(H,22,26)/t16-/m0/s1.
What are the key properties of 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide?
2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide has a molecular weight of 346.39 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-7-methyl-2-oxo-6-phenyl-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]-N-phenylacetamide is sourced from PubChem (CID 136728314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).