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

C12H14N4O3 — CID 137018471

IUPAC5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
InChIInChI=1S/C12H14N4O3/c17-11-6-9(7-1-3-13-4-2-7)16-10(14-11)5-8(15-16)12(18)19/h5-7,13H,1-4H2,(H,14,17)(H,18,19)
InChIKeyGASHVBQQGUDBSA-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.19
Rot. Bonds2

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

5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 137018471) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID137018471
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1
InChIInChI=1S/C12H14N4O3/c17-11-6-9(7-1-3-13-4-2-7)16-10(14-11)5-8(15-16)12(18)19/h5-7,13H,1-4H2,(H,14,17)(H,18,19)
InChIKeyGASHVBQQGUDBSA-UHFFFAOYSA-N
XLogP0.19
TPSA99.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 137018471) is 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2[nH]c(=O)cc(C3CCNCC3)n2n1.
What is the InChIKey of 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is GASHVBQQGUDBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c17-11-6-9(7-1-3-13-4-2-7)16-10(14-11)5-8(15-16)12(18)19/h5-7,13H,1-4H2,(H,14,17)(H,18,19).
What are the key properties of 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 262.27 g/mol, XLogP of 0.19, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 137018471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).