[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

C18H24N6O3 — CID 50978195

IUPAC[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)no1
InChIInChI=1S/C18H24N6O3/c1-3-14-11-16(20-27-14)18(26)23-8-9-24-13(12-23)10-15(19-24)17(25)22-6-4-21(2)5-7-22/h10-11H,3-9,12H2,1-2H3
InChIKeyNHVWQLHIBRKUIX-UHFFFAOYSA-N
MW372.43 g/mol
LogP0.48
Rot. Bonds3

About [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone

[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 50978195) has the molecular formula C18H24N6O3 and a molecular weight of 372.43 g/mol. Its IUPAC name is [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID50978195
Molecular FormulaC18H24N6O3
Molecular Weight372.43 g/mol
Exact Mass372.19
IUPAC Name[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCCc1cc(C(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)no1
InChIInChI=1S/C18H24N6O3/c1-3-14-11-16(20-27-14)18(26)23-8-9-24-13(12-23)10-15(19-24)17(25)22-6-4-21(2)5-7-22/h10-11H,3-9,12H2,1-2H3
InChIKeyNHVWQLHIBRKUIX-UHFFFAOYSA-N
XLogP0.48
TPSA87.71 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone with MolForge

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Launch Full Analysis

Related Compounds

[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
(5-ethyl-1,2-oxazol-3-yl)-morpholin-4-ylmethanone
CID 53001425
[2-(morpholine-4-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[2-(propylamino)phenyl]methanone
CID 50953270
(5-amino-1,2-oxazol-3-yl)-(4-methylpiperazin-1-yl)methanone
CID 117214996
3-(4-methylpiperazine-1-carbonyl)-1,2-oxazole-5-carboxylic acid
CID 107368983
3-[4-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-2-carbonyl)piperazin-1-yl]pyrazine-2-carbonitrile
CID 50964675
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 15997087
(4-methylpiperazin-1-yl)-(5-pyridin-3-yl-1,2-oxazol-3-yl)methanone
CID 17253092
2-butoxy-1-[2-(pyrrolidine-1-carbonyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 50955686
morpholin-4-yl-(5-propyl-1,2-oxazol-3-yl)methanone
CID 46246353
(5-ethyl-1,2-oxazol-3-yl)-[3-(2-methoxyphenyl)-4-methylpiperazin-1-yl]methanone
CID 110109659
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-(5-methyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methanone
CID 95228190

Frequently Asked Questions

What is the IUPAC name of [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone (CID 50978195) is [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is CCc1cc(C(=O)N2CCn3nc(C(=O)N4CCN(C)CC4)cc3C2)no1.
What is the InChIKey of [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is NHVWQLHIBRKUIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3/c1-3-14-11-16(20-27-14)18(26)23-8-9-24-13(12-23)10-15(19-24)17(25)22-6-4-21(2)5-7-22/h10-11H,3-9,12H2,1-2H3.
What are the key properties of [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone?
[5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 372.43 g/mol, XLogP of 0.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-ethyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 50978195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).