5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H19N5O3 — CID 110132819

IUPAC5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(C(=O)N2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)on1
InChIInChI=1S/C17H19N5O3/c1-2-12-9-14(25-20-12)17(24)21-7-4-11(5-8-21)13-10-16(23)22-15(19-13)3-6-18-22/h3,6,9-11,18H,2,4-5,7-8H2,1H3
InChIKeyWKQHSDUCPCRPPL-UHFFFAOYSA-N
MW341.37 g/mol
LogP1.59
Rot. Bonds3

About 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132819) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132819
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1cc(C(=O)N2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)on1
InChIInChI=1S/C17H19N5O3/c1-2-12-9-14(25-20-12)17(24)21-7-4-11(5-8-21)13-10-16(23)22-15(19-13)3-6-18-22/h3,6,9-11,18H,2,4-5,7-8H2,1H3
InChIKeyWKQHSDUCPCRPPL-UHFFFAOYSA-N
XLogP1.59
TPSA96.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132729
5-[1-(pyridine-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132719
5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 171687408
(3-ethyl-1,2-oxazol-5-yl)-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]methanone
CID 92589094
(3-ethyl-1,2-oxazol-5-yl)-(4-pyrazolo[1,5-a]pyrimidin-7-ylpiperidin-1-yl)methanone
CID 110091282
5-(thian-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66896766
5-[1-[(4-ethylphenyl)methyl]-5-oxopyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 172672766
(3-ethyl-1,2-oxazol-5-yl)-[(3R)-3-(1H-pyrazolo[5,4-b]pyridin-6-yl)piperidin-1-yl]methanone
CID 124971670
tert-butyl 3-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carboxylate;tert-butyl 3-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)pyrrolidine-1-carboxylate
CID 159922553
5-piperidin-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 115030706
(3-ethyl-1,2-oxazol-5-yl)-[4-[5-[(4-hydroxypiperidin-1-yl)methyl]-4-methyl-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 72859045
6-[1-(3-ethyl-1,2-oxazole-5-carbonyl)pyrrolidin-2-yl]-1H-pyrimidin-2-one
CID 110114851

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132819) is 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1cc(C(=O)N2CCC(c3cc(=O)n4[nH]ccc4n3)CC2)on1.
What is the InChIKey of 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WKQHSDUCPCRPPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-2-12-9-14(25-20-12)17(24)21-7-4-11(5-8-21)13-10-16(23)22-15(19-13)3-6-18-22/h3,6,9-11,18H,2,4-5,7-8H2,1H3.
What are the key properties of 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 341.37 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).