5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H20N4O3 — CID 110132729

IUPAC5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCC(=O)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1
InChIInChI=1S/C15H20N4O3/c1-22-9-5-14(20)18-7-3-11(4-8-18)12-10-15(21)19-13(17-12)2-6-16-19/h2,6,10-11,16H,3-5,7-9H2,1H3
InChIKeyVBZZGJBRNDFOHB-UHFFFAOYSA-N
MW304.35 g/mol
LogP0.77
Rot. Bonds4

About 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 110132729) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID110132729
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCCC(=O)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1
InChIInChI=1S/C15H20N4O3/c1-22-9-5-14(20)18-7-3-11(4-8-18)12-10-15(21)19-13(17-12)2-6-16-19/h2,6,10-11,16H,3-5,7-9H2,1H3
InChIKeyVBZZGJBRNDFOHB-UHFFFAOYSA-N
XLogP0.77
TPSA79.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[1-[2-(3,5-dimethylpyrazol-1-yl)acetyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one;hydrochloride
CID 171687408
5-[1-(3-ethyl-1,2-oxazole-5-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132819
2-[(2S)-1-(3-methoxypropanoyl)pyrrolidin-2-yl]-5-(1-propan-2-ylpiperidin-4-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 98079549
3-methoxy-1-[4-(1,6-naphthyridin-7-yl)piperidin-1-yl]propan-1-one
CID 175657740
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
methyl 4-(7-chloropyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate;methyl 4-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)cyclohexane-1-carboxylate
CID 158724030
2-[1-(3-methoxypropanoyl)pyrrolidin-3-yl]-4-pyridin-4-yl-1H-pyrimidin-6-one
CID 136881616
3-methoxy-1-[4-(6-phenoxypyrazin-2-yl)piperidin-1-yl]propan-1-one
CID 95822603
tert-butyl 5-(7-oxo-1H-pyrazolo[1,5-a]pyrimidin-5-yl)piperidine-2-carboxylate
CID 91191786
1-[4-(2-aminophenyl)piperidin-1-yl]-3-methoxypropan-1-one
CID 170456860
5-[(2R)-1-(3-thiophen-2-ylpropanoyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125008033
3-methoxy-1-[4-(3-propyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]propan-1-one
CID 51984688

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 110132729) is 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCCC(=O)N1CCC(c2cc(=O)n3[nH]ccc3n2)CC1.
What is the InChIKey of 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VBZZGJBRNDFOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-22-9-5-14(20)18-7-3-11(4-8-18)12-10-15(21)19-13(17-12)2-6-16-19/h2,6,10-11,16H,3-5,7-9H2,1H3.
What are the key properties of 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 304.35 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methoxypropanoyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 110132729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).