2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

C22H21ClN4O3 — CID 53050936

IUPAC2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)CCn2nc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C22H21ClN4O3/c1-30-19-8-3-2-5-16(19)13-24-20(28)14-26-21-12-18(15-6-4-7-17(23)11-15)25-27(21)10-9-22(26)29/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,28)
InChIKeyHYGWMVOTRKUQHR-UHFFFAOYSA-N
MW424.89 g/mol
LogP3.27
Rot. Bonds6

About 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide

2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (PubChem CID 53050936) has the molecular formula C22H21ClN4O3 and a molecular weight of 424.89 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
PubChem CID53050936
Molecular FormulaC22H21ClN4O3
Molecular Weight424.89 g/mol
Exact Mass424.13
IUPAC Name2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
SMILESCOc1ccccc1CNC(=O)CN1C(=O)CCn2nc(-c3cccc(Cl)c3)cc21
InChIInChI=1S/C22H21ClN4O3/c1-30-19-8-3-2-5-16(19)13-24-20(28)14-26-21-12-18(15-6-4-7-17(23)11-15)25-27(21)10-9-22(26)29/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,28)
InChIKeyHYGWMVOTRKUQHR-UHFFFAOYSA-N
XLogP3.27
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.89
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
CID 53050944
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
CID 53023365
2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide
CID 53050996
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53049963
2-[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(1-phenylethyl)acetamide
CID 53050981
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53050979
N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[2-(2-methylphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53023350
N-[(2-chlorophenyl)methyl]-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20920134
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 2677102
(2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92745723
4-(3-chlorophenyl)-N-[(2-methoxyphenyl)methyl]piperazine-1-carboxamide
CID 27133567
N-(3,4-dimethoxyphenyl)-4-[(5-oxo-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 46279477

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide (CID 53050936) is 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is COc1ccccc1CNC(=O)CN1C(=O)CCn2nc(-c3cccc(Cl)c3)cc21.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
The InChIKey is HYGWMVOTRKUQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN4O3/c1-30-19-8-3-2-5-16(19)13-24-20(28)14-26-21-12-18(15-6-4-7-17(23)11-15)25-27(21)10-9-22(26)29/h2-8,11-12H,9-10,13-14H2,1H3,(H,24,28).
What are the key properties of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide?
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide has a molecular weight of 424.89 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53050936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).