methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

C13H16N4O3 — CID 137018551

IUPACmethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
InChIInChI=1S/C13H16N4O3/c1-20-13(19)9-6-11-15-12(18)7-10(17(11)16-9)8-2-4-14-5-3-8/h6-8,14H,2-5H2,1H3,(H,15,18)
InChIKeyDKCCRCCYJRDAAU-UHFFFAOYSA-N
MW276.30 g/mol
LogP0.28
Rot. Bonds2

About methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate

methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (PubChem CID 137018551) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
PubChem CID137018551
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Namemethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
SMILESCOC(=O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
InChIInChI=1S/C13H16N4O3/c1-20-13(19)9-6-11-15-12(18)7-10(17(11)16-9)8-2-4-14-5-3-8/h6-8,14H,2-5H2,1H3,(H,15,18)
InChIKeyDKCCRCCYJRDAAU-UHFFFAOYSA-N
XLogP0.28
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate (CID 137018551) is methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is COC(=O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1.
What is the InChIKey of methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
The InChIKey is DKCCRCCYJRDAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-20-13(19)9-6-11-15-12(18)7-10(17(11)16-9)8-2-4-14-5-3-8/h6-8,14H,2-5H2,1H3,(H,15,18).
What are the key properties of methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate?
methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate has a molecular weight of 276.30 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylate is sourced from PubChem (CID 137018551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).