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

C19H24N4O3 — CID 20928946

IUPACN-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCOc1cccc(CNC(=O)CCCN2C(=O)CCn3nc(C)cc32)c1
InChIInChI=1S/C19H24N4O3/c1-14-11-18-22(19(25)8-10-23(18)21-14)9-4-7-17(24)20-13-15-5-3-6-16(12-15)26-2/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,20,24)
InChIKeyWRARJJKTCWDEFW-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.03
Rot. Bonds7

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

N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (PubChem CID 20928946) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.

Molecular Properties

Compound NameN-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
PubChem CID20928946
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
SMILESCOc1cccc(CNC(=O)CCCN2C(=O)CCn3nc(C)cc32)c1
InChIInChI=1S/C19H24N4O3/c1-14-11-18-22(19(25)8-10-23(18)21-14)9-4-7-17(24)20-13-15-5-3-6-16(12-15)26-2/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,20,24)
InChIKeyWRARJJKTCWDEFW-UHFFFAOYSA-N
XLogP2.03
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

N-[(4-ethylphenyl)methyl]-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928903
4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)-N-(oxolan-2-ylmethyl)butanamide
CID 20928942
4-[2-(1-methylindol-3-yl)-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)butanamide
CID 46349719
4-(3-methyl-2,5-dioxoimidazolidin-1-yl)-N-[(3-methylphenyl)methyl]butanamide
CID 134003556
N-[(3-methoxyphenyl)methyl]-2-(2-oxopyrrolidin-1-yl)acetamide
CID 47111335
N-[1-(1-adamantyl)ethyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide
CID 46282334
N-(furan-2-ylmethyl)-2-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)acetamide
CID 20928856
N-[(3-methoxyphenyl)methyl]-3-sulfanylpropanamide
CID 107023733
4-[2-(4-chlorophenyl)-4-methyl-7-oxopyrazolo[3,4-d]pyridazin-6-yl]-N-[(3-methoxyphenyl)methyl]butanamide
CID 118582754
(3R)-3-(3,5-dimethylpyrazol-1-yl)-N-[(3-methoxyphenyl)methyl]butanamide
CID 92693235
4-[[4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl]methyl]-2-methyl-6,7-dihydropyrazolo[1,5-a]pyrimidin-5-one
CID 20920120
N-[(3-methoxyphenyl)methyl]-4-(4-oxo-3H-pyridazino[4,5-b]indol-5-yl)butanamide
CID 20892915

Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The IUPAC name of N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide (CID 20928946) is N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide.
What is the SMILES notation for N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The canonical SMILES for N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is COc1cccc(CNC(=O)CCCN2C(=O)CCn3nc(C)cc32)c1.
What is the InChIKey of N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
The InChIKey is WRARJJKTCWDEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-11-18-22(19(25)8-10-23(18)21-14)9-4-7-17(24)20-13-15-5-3-6-16(12-15)26-2/h3,5-6,11-12H,4,7-10,13H2,1-2H3,(H,20,24).
What are the key properties of N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide?
N-[(3-methoxyphenyl)methyl]-4-(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, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxyphenyl)methyl]-4-(2-methyl-5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)butanamide is sourced from PubChem (CID 20928946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).