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

C19H33N5O2 — CID 20928830

IUPACN-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCCCN(CC)CCNC(=O)C(CC)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H33N5O2/c1-5-8-11-22(7-3)13-10-20-19(26)16(6-2)24-17-14-15(4)21-23(17)12-9-18(24)25/h14,16H,5-13H2,1-4H3,(H,20,26)
InChIKeyLHAKYLOWSONSJD-UHFFFAOYSA-N
MW363.51 g/mol
LogP1.95
Rot. Bonds10

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

N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928830) has the molecular formula C19H33N5O2 and a molecular weight of 363.51 g/mol. Its IUPAC name is N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928830
Molecular FormulaC19H33N5O2
Molecular Weight363.51 g/mol
Exact Mass363.26
IUPAC NameN-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCCCCN(CC)CCNC(=O)C(CC)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H33N5O2/c1-5-8-11-22(7-3)13-10-20-19(26)16(6-2)24-17-14-15(4)21-23(17)12-9-18(24)25/h14,16H,5-13H2,1-4H3,(H,20,26)
InChIKeyLHAKYLOWSONSJD-UHFFFAOYSA-N
XLogP1.95
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.51
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[benzyl(ethyl)amino]propyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928832
(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
(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide
CID 92706869
N-(2,5-dimethylphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928806
(2R)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(pyridin-3-ylmethyl)butanamide
CID 92723479
(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706843
(2S)-N-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052452
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
(2R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052460
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-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 N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928830) is N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is CCCCN(CC)CCNC(=O)C(CC)N1C(=O)CCn2nc(C)cc21.
What is the InChIKey of N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is LHAKYLOWSONSJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O2/c1-5-8-11-22(7-3)13-10-20-19(26)16(6-2)24-17-14-15(4)21-23(17)12-9-18(24)25/h14,16H,5-13H2,1-4H3,(H,20,26).
What are the key properties of N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 363.51 g/mol, XLogP of 1.95, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).