2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid

C9H8N4O5 — CID 135872744

IUPAC2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n2nccc2[nH]c1=O
InChIInChI=1S/C9H8N4O5/c14-5(15)3-10-7(16)6-8(17)12-4-1-2-11-13(4)9(6)18/h1-2,18H,3H2,(H,10,16)(H,12,17)(H,14,15)
InChIKeyBQMFZLFBORVEGS-UHFFFAOYSA-N
MW252.19 g/mol
LogP-1.46
Rot. Bonds3

About 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid

2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid (PubChem CID 135872744) has the molecular formula C9H8N4O5 and a molecular weight of 252.19 g/mol. Its IUPAC name is 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
PubChem CID135872744
Molecular FormulaC9H8N4O5
Molecular Weight252.19 g/mol
Exact Mass252.05
IUPAC Name2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid
SMILESO=C(O)CNC(=O)c1c(O)n2nccc2[nH]c1=O
InChIInChI=1S/C9H8N4O5/c14-5(15)3-10-7(16)6-8(17)12-4-1-2-11-13(4)9(6)18/h1-2,18H,3H2,(H,10,16)(H,12,17)(H,14,15)
InChIKeyBQMFZLFBORVEGS-UHFFFAOYSA-N
XLogP-1.46
TPSA136.79 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 5-1.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid (CID 135872744) is 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid is O=C(O)CNC(=O)c1c(O)n2nccc2[nH]c1=O.
What is the InChIKey of 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
The InChIKey is BQMFZLFBORVEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4O5/c14-5(15)3-10-7(16)6-8(17)12-4-1-2-11-13(4)9(6)18/h1-2,18H,3H2,(H,10,16)(H,12,17)(H,14,15).
What are the key properties of 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid?
2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid has a molecular weight of 252.19 g/mol, XLogP of -1.46, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-6-carbonyl)amino]acetic acid is sourced from PubChem (CID 135872744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).