N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

C23H23N5O4 — CID 135658600

IUPACN-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOCc1nn2c(c1-c1ccccc1)NC(=O)CC2C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H23N5O4/c1-14(29)24-16-8-10-17(11-9-16)25-23(31)19-12-20(30)26-22-21(15-6-4-3-5-7-15)18(13-32-2)27-28(19)22/h3-11,19H,12-13H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)
InChIKeyYMBKRQNIXIBSOS-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.18
Rot. Bonds6

About N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (PubChem CID 135658600) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
PubChem CID135658600
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC NameN-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
SMILESCOCc1nn2c(c1-c1ccccc1)NC(=O)CC2C(=O)Nc1ccc(NC(C)=O)cc1
InChIInChI=1S/C23H23N5O4/c1-14(29)24-16-8-10-17(11-9-16)25-23(31)19-12-20(30)26-22-21(15-6-4-3-5-7-15)18(13-32-2)27-28(19)22/h3-11,19H,12-13H2,1-2H3,(H,24,29)(H,25,31)(H,26,30)
InChIKeyYMBKRQNIXIBSOS-UHFFFAOYSA-N
XLogP3.18
TPSA114.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-(methoxymethyl)-2-oxo-7-phenyl-1H,2H,3H-pyrazolo[1,5-a]imidazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 136220343
5-hydroxy-N-(4-methoxyphenyl)-2-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135633535
5-hydroxy-N,2-diphenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135655120
(7R)-N-(3-chloro-4-fluorophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 136040898
N-(3-fluorophenyl)-2-[7-(4-fluorophenyl)-6-(methoxymethyl)-2-oxo-1,3-dihydroimidazo[2,1-e]pyrazol-3-yl]acetamide
CID 136222456
N-(3,4-difluorophenyl)-5-hydroxy-2-(methoxymethyl)-3-phenyl-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135658690
5-hydroxy-2-(methoxymethyl)-3-phenyl-N-[2-(trifluoromethyl)phenyl]-6,7-dihydropyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135658839
(7S)-N-(4-methoxyphenyl)-5-oxo-2-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902537
(7S)-2-(4-methoxyphenyl)-5-oxo-N-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 135902757
(7S)-2-(methoxymethyl)-N-(3-methoxyphenyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 136012248
(7S)-2-(4-methoxyphenyl)-3-methyl-5-oxo-N-(3,4,5-trifluorophenyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 136032959
N-(2-fluorophenyl)-2-(6-(methoxymethyl)-2-oxo-7-phenyl-2,3-dihydro-1H-imidazo[1,2-b]pyrazol-3-yl)acetamide
CID 136220340

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The IUPAC name of N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide (CID 135658600) is N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide.
What is the SMILES notation for N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The canonical SMILES for N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is COCc1nn2c(c1-c1ccccc1)NC(=O)CC2C(=O)Nc1ccc(NC(C)=O)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
The InChIKey is YMBKRQNIXIBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-14(29)24-16-8-10-17(11-9-16)25-23(31)19-12-20(30)26-22-21(15-6-4-3-5-7-15)18(13-32-2)27-28(19)22/h3-11,19H,12-13H2,1-2H3,(H,24,29)(H,25,31)(H,26,30).
What are the key properties of N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide?
N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide has a molecular weight of 433.47 g/mol, XLogP of 3.18, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-2-(methoxymethyl)-5-oxo-3-phenyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrimidine-7-carboxamide is sourced from PubChem (CID 135658600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).