propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

C15H20N4O3 — CID 137018649

IUPACpropan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)OC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H20N4O3/c1-9(2)22-15(21)11-8-17-19-12(7-13(20)18-14(11)19)10-3-5-16-6-4-10/h7-10,16H,3-6H2,1-2H3,(H,18,20)
InChIKeyFMJRHXMWIPEWSB-UHFFFAOYSA-N
MW304.35 g/mol
LogP1.05
Rot. Bonds3

About propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate

propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018649) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018649
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Namepropan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCC(C)OC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C15H20N4O3/c1-9(2)22-15(21)11-8-17-19-12(7-13(20)18-14(11)19)10-3-5-16-6-4-10/h7-10,16H,3-6H2,1-2H3,(H,18,20)
InChIKeyFMJRHXMWIPEWSB-UHFFFAOYSA-N
XLogP1.05
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

US10118930, Example 452
CID 137018609
Methyl 4-hydroxy-2-(piperidin-4-yl)pyrazolo[1,5-a][1,3,5]triazine-8-carboxylate
CID 136123530
US10118930, Example 352
CID 137018395
US10118930, Example 354
CID 137018397
US10118930, Example 353
CID 137018542
US10118930, Example 355
CID 137018549
US10118930, Example 103
CID 137018571
US10118930, Example 463
CID 137018607
US10118930, Example 289
CID 137018651
US10118930, Example 51
CID 137018245
US10118930, Example 82
CID 137018277
US10118930, Example 98
CID 137018284

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018649) is propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CC(C)OC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is FMJRHXMWIPEWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(2)22-15(21)11-8-17-19-12(7-13(20)18-14(11)19)10-3-5-16-6-4-10/h7-10,16H,3-6H2,1-2H3,(H,18,20).
What are the key properties of propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).