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

C17H20N4O3 — CID 20928708

IUPACN-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)cc1
InChIInChI=1S/C17H20N4O3/c1-11-10-15-20(19-11)9-8-16(22)21(15)12(2)17(23)18-13-4-6-14(24-3)7-5-13/h4-7,10,12H,8-9H2,1-3H3,(H,18,23)
InChIKeyRIGQQYXGEYQDFH-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.96
Rot. Bonds4

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

N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (PubChem CID 20928708) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
PubChem CID20928708
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCOc1ccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)cc1
InChIInChI=1S/C17H20N4O3/c1-11-10-15-20(19-11)9-8-16(22)21(15)12(2)17(23)18-13-4-6-14(24-3)7-5-13/h4-7,10,12H,8-9H2,1-3H3,(H,18,23)
InChIKeyRIGQQYXGEYQDFH-UHFFFAOYSA-N
XLogP1.96
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928707
N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928737
(2S)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052452
N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928747
N-methyl-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928825
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706855
2-(1,3-dioxoisoindol-2-yl)-N-(4-methoxyphenyl)propanamide
CID 3803407
(2R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052460
N-(4-methoxyphenyl)-2-(4,5,6,7-tetrabromo-1,3-dioxoisoindol-2-yl)propanamide
CID 3808689
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]propanamide
CID 20928756
N-(2,5-dimethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928806
N-(3-ethoxypropyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928819

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The IUPAC name of N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (CID 20928708) is N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The canonical SMILES for N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is COc1ccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The InChIKey is RIGQQYXGEYQDFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-10-15-20(19-11)9-8-16(22)21(15)12(2)17(23)18-13-4-6-14(24-3)7-5-13/h4-7,10,12H,8-9H2,1-3H3,(H,18,23).
What are the key properties of N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide has a molecular weight of 328.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is sourced from PubChem (CID 20928708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).