N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide

C18H22N4O3 — CID 20920002

IUPACN-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCOCCCNC(=O)c1ccc(CN2C(=O)CCn3nccc32)cc1
InChIInChI=1S/C18H22N4O3/c1-25-12-2-9-19-18(24)15-5-3-14(4-6-15)13-21-16-7-10-20-22(16)11-8-17(21)23/h3-7,10H,2,8-9,11-13H2,1H3,(H,19,24)
InChIKeyUZUARBSLYCSARX-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.59
Rot. Bonds7

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

N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (PubChem CID 20920002) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
PubChem CID20920002
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC NameN-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
SMILESCOCCCNC(=O)c1ccc(CN2C(=O)CCn3nccc32)cc1
InChIInChI=1S/C18H22N4O3/c1-25-12-2-9-19-18(24)15-5-3-14(4-6-15)13-21-16-7-10-20-22(16)11-8-17(21)23/h3-7,10H,2,8-9,11-13H2,1H3,(H,19,24)
InChIKeyUZUARBSLYCSARX-UHFFFAOYSA-N
XLogP1.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.59
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

4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-(3-pyrrolidin-1-ylpropyl)benzamide
CID 50759144
N-[(4-methoxyphenyl)methyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53023090
4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]-N-propan-2-ylbenzamide
CID 20919982
N-cyclopropyl-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20919984
4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoic acid
CID 20885436
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53003687
N-[2-(1-adamantyl)ethyl]-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 53049844
methyl 2-[[4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzoyl]amino]benzoate
CID 53023091
N-(3-butoxypropyl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]benzamide
CID 27682911
N-(3-methoxypropyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 32686719
N-(2,3-dimethylcyclohexyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide
CID 20919998
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[3-(methylamino)propyl]benzamide
CID 119431505

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The IUPAC name of N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide (CID 20920002) is N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide.
What is the SMILES notation for N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The canonical SMILES for N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is COCCCNC(=O)c1ccc(CN2C(=O)CCn3nccc32)cc1.
What is the InChIKey of N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
The InChIKey is UZUARBSLYCSARX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-25-12-2-9-19-18(24)15-5-3-14(4-6-15)13-21-16-7-10-20-22(16)11-8-17(21)23/h3-7,10H,2,8-9,11-13H2,1H3,(H,19,24).
What are the key properties of N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide?
N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide has a molecular weight of 342.40 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-[(5-oxo-6,7-dihydropyrazolo[1,5-a]pyrimidin-4-yl)methyl]benzamide is sourced from PubChem (CID 20920002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).