5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C13H13N5O2 — CID 175860285

IUPAC5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3C[C@H]4C[C@@H]3CC4=O)nc12
InChIInChI=1S/C13H13N5O2/c14-12(20)9-5-15-18-2-1-11(16-13(9)18)17-6-7-3-8(17)4-10(7)19/h1-2,5,7-8H,3-4,6H2,(H2,14,20)/t7-,8-/m1/s1
InChIKeyVDOZENPMILPTOU-HTQZYQBOSA-N
MW271.28 g/mol
LogP-0.00
Rot. Bonds2

About 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 175860285) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID175860285
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESNC(=O)c1cnn2ccc(N3C[C@H]4C[C@@H]3CC4=O)nc12
InChIInChI=1S/C13H13N5O2/c14-12(20)9-5-15-18-2-1-11(16-13(9)18)17-6-7-3-8(17)4-10(7)19/h1-2,5,7-8H,3-4,6H2,(H2,14,20)/t7-,8-/m1/s1
InChIKeyVDOZENPMILPTOU-HTQZYQBOSA-N
XLogP-0.00
TPSA93.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 175860285) is 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is NC(=O)c1cnn2ccc(N3C[C@H]4C[C@@H]3CC4=O)nc12.
What is the InChIKey of 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is VDOZENPMILPTOU-HTQZYQBOSA-N. The full InChI is InChI=1S/C13H13N5O2/c14-12(20)9-5-15-18-2-1-11(16-13(9)18)17-6-7-3-8(17)4-10(7)19/h1-2,5,7-8H,3-4,6H2,(H2,14,20)/t7-,8-/m1/s1.
What are the key properties of 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 271.28 g/mol, XLogP of -0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,4R)-5-oxo-2-azabicyclo[2.2.1]heptan-2-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 175860285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).