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

C19H31N5O2 — CID 20928747

IUPACN-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCc1cc2n(n1)CCC(=O)N2C(C)C(=O)NCCCN1CCCCCC1
InChIInChI=1S/C19H31N5O2/c1-15-14-17-23(21-15)13-8-18(25)24(17)16(2)19(26)20-9-7-12-22-10-5-3-4-6-11-22/h14,16H,3-13H2,1-2H3,(H,20,26)
InChIKeyZQHRZZWZALIUGK-UHFFFAOYSA-N
MW361.49 g/mol
LogP1.70
Rot. Bonds6

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

N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (PubChem CID 20928747) has the molecular formula C19H31N5O2 and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.

Molecular Properties

Compound NameN-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
PubChem CID20928747
Molecular FormulaC19H31N5O2
Molecular Weight361.49 g/mol
Exact Mass361.25
IUPAC NameN-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
SMILESCc1cc2n(n1)CCC(=O)N2C(C)C(=O)NCCCN1CCCCCC1
InChIInChI=1S/C19H31N5O2/c1-15-14-17-23(21-15)13-8-18(25)24(17)16(2)19(26)20-9-7-12-22-10-5-3-4-6-11-22/h14,16H,3-13H2,1-2H3,(H,20,26)
InChIKeyZQHRZZWZALIUGK-UHFFFAOYSA-N
XLogP1.70
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.49
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 53050899
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-(4-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928708
(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
2-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(3-piperidin-1-ylpropyl)propanamide
CID 112809978
N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928830
(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
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
CID 46282319
N-(3-methylbutyl)-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928939
N-[3-[benzyl(ethyl)amino]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928832

Frequently Asked Questions

What is the IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The IUPAC name of N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide (CID 20928747) is N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide.
What is the SMILES notation for N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The canonical SMILES for N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is Cc1cc2n(n1)CCC(=O)N2C(C)C(=O)NCCCN1CCCCCC1.
What is the InChIKey of N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
The InChIKey is ZQHRZZWZALIUGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O2/c1-15-14-17-23(21-15)13-8-18(25)24(17)16(2)19(26)20-9-7-12-22-10-5-3-4-6-11-22/h14,16H,3-13H2,1-2H3,(H,20,26).
What are the key properties of N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide?
N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide has a molecular weight of 361.49 g/mol, XLogP of 1.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(azepan-1-yl)propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide is sourced from PubChem (CID 20928747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).