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

C18H22N4O2 — CID 20928737

IUPACN-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCCc1cccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)c1
InChIInChI=1S/C18H22N4O2/c1-4-14-6-5-7-15(11-14)19-18(24)13(3)22-16-10-12(2)20-21(16)9-8-17(22)23/h5-7,10-11,13H,4,8-9H2,1-3H3,(H,19,24)
InChIKeyKGEGJPOUHGYWLG-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.52
Rot. Bonds4

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

N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (PubChem CID 20928737) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
PubChem CID20928737
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC NameN-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCCc1cccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)c1
InChIInChI=1S/C18H22N4O2/c1-4-14-6-5-7-15(11-14)19-18(24)13(3)22-16-10-12(2)20-21(16)9-8-17(22)23/h5-7,10-11,13H,4,8-9H2,1-3H3,(H,19,24)
InChIKeyKGEGJPOUHGYWLG-UHFFFAOYSA-N
XLogP2.52
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928708
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
CID 46282319
(2R)-2-(1,3-dioxoisoindol-2-yl)-N-(3-ethylphenyl)propanamide
CID 7994568
N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928747
(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide
CID 92706869
N-[3-[benzyl(methyl)amino]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 53023300
N-(2,5-dimethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928806
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706855
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
(2S)-2-(2,5-dioxopyrrolidin-1-yl)-N-(3-fluorophenyl)propanamide
CID 17034808
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-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The IUPAC name of N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (CID 20928737) is N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.
What is the SMILES notation for N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The canonical SMILES for N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is CCc1cccc(NC(=O)C(C)N2C(=O)CCn3nc(C)cc32)c1.
What is the InChIKey of N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The InChIKey is KGEGJPOUHGYWLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-4-14-6-5-7-15(11-14)19-18(24)13(3)22-16-10-12(2)20-21(16)9-8-17(22)23/h5-7,10-11,13H,4,8-9H2,1-3H3,(H,19,24).
What are the key properties of N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide has a molecular weight of 326.40 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is sourced from PubChem (CID 20928737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).