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

C14H18N4O3 — CID 137018461

IUPACethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H18N4O3/c1-2-21-14(20)10-8-16-18-11(7-12(19)17-13(10)18)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,17,19)
InChIKeyMNJZPYSVEVYISE-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.67
Rot. Bonds3

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

ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (PubChem CID 137018461) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
PubChem CID137018461
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Nameethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12
InChIInChI=1S/C14H18N4O3/c1-2-21-14(20)10-8-16-18-11(7-12(19)17-13(10)18)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,17,19)
InChIKeyMNJZPYSVEVYISE-UHFFFAOYSA-N
XLogP0.67
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.67
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 83
CID 137018276
US10118930, Example 82
CID 137018277

Frequently Asked Questions

What is the IUPAC name of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate (CID 137018461) is ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is CCOC(=O)c1cnn2c(C3CCNCC3)cc(=O)[nH]c12.
What is the InChIKey of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
The InChIKey is MNJZPYSVEVYISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c1-2-21-14(20)10-8-16-18-11(7-12(19)17-13(10)18)9-3-5-15-6-4-9/h7-9,15H,2-6H2,1H3,(H,17,19).
What are the key properties of ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate?
ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate has a molecular weight of 290.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylate is sourced from PubChem (CID 137018461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).