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

C23H23ClN4O4 — CID 53050944

IUPAC2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4cccc(Cl)c4)cc32)c(OC)c1
InChIInChI=1S/C23H23ClN4O4/c1-31-18-7-6-16(20(11-18)32-2)13-25-21(29)14-27-22-12-19(15-4-3-5-17(24)10-15)26-28(22)9-8-23(27)30/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,25,29)
InChIKeyHSSAGWDUFUHIHE-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.27
Rot. Bonds7

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

2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide (PubChem CID 53050944) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
PubChem CID53050944
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC Name2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide
SMILESCOc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4cccc(Cl)c4)cc32)c(OC)c1
InChIInChI=1S/C23H23ClN4O4/c1-31-18-7-6-16(20(11-18)32-2)13-25-21(29)14-27-22-12-19(15-4-3-5-17(24)10-15)26-28(22)9-8-23(27)30/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,25,29)
InChIKeyHSSAGWDUFUHIHE-UHFFFAOYSA-N
XLogP3.27
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 53050936
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-propan-2-ylacetamide
CID 53023365
N-(1,3-benzodioxol-5-ylmethyl)-2-[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]acetamide
CID 53050979
2-[2-(4-methoxyphenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(1-phenylethyl)acetamide
CID 53050981
2-[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(3-methoxypropyl)acetamide
CID 53050996
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-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928946
4-[[2-(4-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]methyl]-N-[(2-ethoxyphenyl)methyl]benzamide
CID 53049963
2-(3-chlorophenyl)-N-[(2,5-dimethoxyphenyl)methyl]acetamide
CID 110779915
N-[(5-methylfuran-2-yl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928920
N-[(4-ethylphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928903
N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928856

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-[(2,4-dimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide (CID 53050944) is 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide is COc1ccc(CNC(=O)CN2C(=O)CCn3nc(-c4cccc(Cl)c4)cc32)c(OC)c1.
What is the InChIKey of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide?
The InChIKey is HSSAGWDUFUHIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-31-18-7-6-16(20(11-18)32-2)13-25-21(29)14-27-22-12-19(15-4-3-5-17(24)10-15)26-28(22)9-8-23(27)30/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,25,29).
What are the key properties of 2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide?
2-[2-(3-chlorophenyl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-[(2,4-dimethoxyphenyl)methyl]acetamide has a molecular weight of 454.91 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-[(2,4-dimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 53050944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).