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

C19H24N4O3 — CID 92745723

IUPAC(2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCC[C@H](C(=O)NCc1ccccc1OC)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H24N4O3/c1-4-15(19(25)20-12-14-7-5-6-8-16(14)26-3)23-17-11-13(2)21-22(17)10-9-18(23)24/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyNJFAKJMJRZYPDD-OAHLLOKOSA-N
MW356.43 g/mol
LogP2.03
Rot. Bonds6

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

(2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 92745723) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound Name(2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID92745723
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name(2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCC[C@H](C(=O)NCc1ccccc1OC)N1C(=O)CCn2nc(C)cc21
InChIInChI=1S/C19H24N4O3/c1-4-15(19(25)20-12-14-7-5-6-8-16(14)26-3)23-17-11-13(2)21-22(17)10-9-18(23)24/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,25)/t15-/m1/s1
InChIKeyNJFAKJMJRZYPDD-OAHLLOKOSA-N
XLogP2.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(2-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706843
(2S)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-[(2-methylphenyl)methyl]butanamide
CID 92706869
(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-[2-(2,4-dimethoxyphenyl)ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 93052452
2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(2-phenylethyl)butanamide
CID 46282319
(2S)-N-[(4-ethoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 92706855
N-(3-ethoxypropyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928819
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
N-[2-[butyl(ethyl)amino]ethyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 20928830
N-(3-methoxyphenyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)propanamide
CID 20928707
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 92745723) is (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is CC[C@H](C(=O)NCc1ccccc1OC)N1C(=O)CCn2nc(C)cc21.
What is the InChIKey of (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is NJFAKJMJRZYPDD-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-15(19(25)20-12-14-7-5-6-8-16(14)26-3)23-17-11-13(2)21-22(17)10-9-18(23)24/h5-8,11,15H,4,9-10,12H2,1-3H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
(2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide has a molecular weight of 356.43 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(2-methoxyphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 92745723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).