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

C17H20N4O3 — CID 20928707

IUPACN-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCOc1cccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)c1
InChIInChI=1S/C17H20N4O3/c1-11-9-15-20(19-11)8-7-16(22)21(15)12(2)17(23)18-13-5-4-6-14(10-13)24-3/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,23)
InChIKeyVLQBMMJKWZSXJA-UHFFFAOYSA-N
MW328.37 g/mol
LogP1.96
Rot. Bonds4

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

N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (PubChem CID 20928707) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
PubChem CID20928707
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC NameN-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCOc1cccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)c1
InChIInChI=1S/C17H20N4O3/c1-11-9-15-20(19-11)8-7-16(22)21(15)12(2)17(23)18-13-5-4-6-14(10-13)24-3/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,23)
InChIKeyVLQBMMJKWZSXJA-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-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928708
N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928737
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-(3-methoxyphenyl)propanamide
CID 679819
(2S)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052452
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 90517885
N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928747
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2-yl]propanamide
CID 46263020
2-hydroxy-N-(3-methoxyphenyl)propanamide
CID 82125804
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714
(2S)-N-(3-methoxyphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)propanamide
CID 28623082
(2R)-N-(3-methoxyphenyl)-2-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanamide
CID 8593450

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The IUPAC name of N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (CID 20928707) is N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The canonical SMILES for N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is COc1cccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)c1.
What is the InChIKey of N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The InChIKey is VLQBMMJKWZSXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-11-9-15-20(19-11)8-7-16(22)21(15)12(2)17(23)18-13-5-4-6-14(10-13)24-3/h4-6,9-10,12H,7-8H2,1-3H3,(H,18,23).
What are the key properties of N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
N-(3-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-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is sourced from PubChem (CID 20928707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).