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

C19H24N4O2 — CID 46282319

IUPAC2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)NCCc1ccccc1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H24N4O2/c1-3-16(19(25)20-11-9-15-7-5-4-6-8-15)23-17-13-14(2)21-22(17)12-10-18(23)24/h4-8,13,16H,3,9-12H2,1-2H3,(H,20,25)
InChIKeyDXKACBJMGMOOQW-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.07
Rot. Bonds6

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

2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide (PubChem CID 46282319) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide.

Molecular Properties

Compound Name2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
PubChem CID46282319
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
SMILESCCC(C(=O)NCCc1ccccc1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H24N4O2/c1-3-16(19(25)20-11-9-15-7-5-4-6-8-15)23-17-13-14(2)21-22(17)12-10-18(23)24/h4-8,13,16H,3,9-12H2,1-2H3,(H,20,25)
InChIKeyDXKACBJMGMOOQW-UHFFFAOYSA-N
XLogP2.07
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 53023300
N-[3-[benzyl(ethyl)amino]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928832
(2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92745723
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706843
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 53050899
N-(3-ethoxypropyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928819
(2S)-N-(3-butylsulfanylpropyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706859
N-(2,5-dimethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928806
(2R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052460
(2S)-N-[3-[4-(3-chlorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706831
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928837
N-(3-ethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928737

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
The IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide (CID 46282319) is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide.
What is the SMILES notation for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
The canonical SMILES for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide is CCC(C(=O)NCCc1ccccc1)N1C(=O)CCn2nc(C)cc21.
What is the InChIKey of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
The InChIKey is DXKACBJMGMOOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-3-16(19(25)20-11-9-15-7-5-4-6-8-15)23-17-13-14(2)21-22(17)12-10-18(23)24/h4-8,13,16H,3,9-12H2,1-2H3,(H,20,25).
What are the key properties of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide?
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide has a molecular weight of 340.43 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide is sourced from PubChem (CID 46282319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).