4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide

C19H18N6O3 — CID 166411644

IUPAC4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide
SMILESC=CC(=O)N1CCn2ncc(CNC(=O)c3ccc(-c4ncon4)cc3)c2C1
InChIInChI=1S/C19H18N6O3/c1-2-17(26)24-7-8-25-16(11-24)15(10-22-25)9-20-19(27)14-5-3-13(4-6-14)18-21-12-28-23-18/h2-6,10,12H,1,7-9,11H2,(H,20,27)
InChIKeyTYIBFRCSEUTDTN-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.39
Rot. Bonds5

About 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide

4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide (PubChem CID 166411644) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide
PubChem CID166411644
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide
SMILESC=CC(=O)N1CCn2ncc(CNC(=O)c3ccc(-c4ncon4)cc3)c2C1
InChIInChI=1S/C19H18N6O3/c1-2-17(26)24-7-8-25-16(11-24)15(10-22-25)9-20-19(27)14-5-3-13(4-6-14)18-21-12-28-23-18/h2-6,10,12H,1,7-9,11H2,(H,20,27)
InChIKeyTYIBFRCSEUTDTN-UHFFFAOYSA-N
XLogP1.39
TPSA106.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-[[4-(5-ethyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]-2-methylpyrazole-3-carboxamide
CID 162642965
US10343992, Example 172
CID 122590430
2-(4-fluorophenyl)-5-((3-(pyridin-2-yl)-1,2,4-oxadiazol-5-yl)methyl)pyrazolo[1,5-a]pyrazin-4(5H)-one
CID 27372926
N-[[5-[[2-(4-methylpyrazol-1-yl)ethylamino]methyl]-1,2,4-oxadiazol-3-yl]methyl]benzamide
CID 53624179
2-tert-butyl-6-[4-(1H-1,2,4-triazol-3-yl)benzoyl]-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 56746591
N,2-dimethyl-N-{[3-(3-pyridinyl)-1,2,4-oxadiazol-5-yl]methyl}-4,5,6,7-tetrahydro-2H-indazole-3-carboxamide
CID 70745903
4-fluoro-N-{2-[2-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl)-1H-imidazol-1-yl]ethyl}benzamide
CID 70766573
4-Fluoro-1-(1-methyl-1H-pyrazole-5-carbonyl)-4-(3-phenyl-1,2,4-oxadiazol-5-YL)piperidine
CID 124040589
N,N-Dimethyl-3-{3-[4-(5-methyl-1,2,4-oxadiazol-3-YL)-1H-1,2,3-triazol-1-YL]piperidine-1-carbonyl}aniline
CID 91892120
4-methyl-N-(1-pyrazolo[1,5-a]pyrimidin-7-ylpyrrolidin-3-yl)benzamide
CID 134798789
US20250059174, Example 9
CID 175682271
3-isobutyl-1-methyl-N-[4-(5-methyl-1,2,4-oxadiazol-3-yl)benzyl]-1H-pyrazole-5-carboxamide
CID 50982566

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide?
The IUPAC name of 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide (CID 166411644) is 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide is C=CC(=O)N1CCn2ncc(CNC(=O)c3ccc(-c4ncon4)cc3)c2C1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide?
The InChIKey is TYIBFRCSEUTDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c1-2-17(26)24-7-8-25-16(11-24)15(10-22-25)9-20-19(27)14-5-3-13(4-6-14)18-21-12-28-23-18/h2-6,10,12H,1,7-9,11H2,(H,20,27).
What are the key properties of 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide?
4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide has a molecular weight of 378.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-yl)-N-[(5-prop-2-enoyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-3-yl)methyl]benzamide is sourced from PubChem (CID 166411644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).