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

C18H29N5O2 — CID 53050899

IUPAC2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCCC(C(=O)NCCCN1CCCC1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C18H29N5O2/c1-3-15(18(25)19-8-6-11-21-9-4-5-10-21)23-16-13-14(2)20-22(16)12-7-17(23)24/h13,15H,3-12H2,1-2H3,(H,19,25)
InChIKeySKJLYEGLFHUOHA-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.31
Rot. Bonds7

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

2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide (PubChem CID 53050899) has the molecular formula C18H29N5O2 and a molecular weight of 347.46 g/mol. Its IUPAC name is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide.

Molecular Properties

Compound Name2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
PubChem CID53050899
Molecular FormulaC18H29N5O2
Molecular Weight347.46 g/mol
Exact Mass347.23
IUPAC Name2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
SMILESCCC(C(=O)NCCCN1CCCC1)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C18H29N5O2/c1-3-15(18(25)19-8-6-11-21-9-4-5-10-21)23-16-13-14(2)20-22(16)12-7-17(23)24/h13,15H,3-12H2,1-2H3,(H,19,25)
InChIKeySKJLYEGLFHUOHA-UHFFFAOYSA-N
XLogP1.31
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide 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

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-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928837
(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-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-methyl-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928825
N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928830
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
CID 46282319
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
(2R)-N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 95054895
N-[3-[benzyl(methyl)amino]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 53023300
(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide
CID 92706869

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The IUPAC name of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide (CID 53050899) is 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide.
What is the SMILES notation for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
The canonical SMILES for 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide is CCC(C(=O)NCCCN1CCCC1)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-(3-pyrrolidin-1-ylpropyl)butanamide?
The InChIKey is SKJLYEGLFHUOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N5O2/c1-3-15(18(25)19-8-6-11-21-9-4-5-10-21)23-16-13-14(2)20-22(16)12-7-17(23)24/h13,15H,3-12H2,1-2H3,(H,19,25).
What are the key properties of 2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide?
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide has a molecular weight of 347.46 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 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-(3-pyrrolidin-1-ylpropyl)butanamide is sourced from PubChem (CID 53050899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).