2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid

C10H10N4O4 — CID 110485748

IUPAC2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCC(=O)O)c2n1
InChIInChI=1S/C10H10N4O4/c1-5-2-7(15)14-9(13-5)6(3-12-14)10(18)11-4-8(16)17/h2-3,12H,4H2,1H3,(H,11,18)(H,16,17)
InChIKeyLUEBEXWZKBYCNF-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.85
Rot. Bonds3

About 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid

2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid (PubChem CID 110485748) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
PubChem CID110485748
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid
SMILESCc1cc(=O)n2[nH]cc(C(=O)NCC(=O)O)c2n1
InChIInChI=1S/C10H10N4O4/c1-5-2-7(15)14-9(13-5)6(3-12-14)10(18)11-4-8(16)17/h2-3,12H,4H2,1H3,(H,11,18)(H,16,17)
InChIKeyLUEBEXWZKBYCNF-UHFFFAOYSA-N
XLogP-0.85
TPSA116.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid (CID 110485748) is 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid is Cc1cc(=O)n2[nH]cc(C(=O)NCC(=O)O)c2n1.
What is the InChIKey of 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
The InChIKey is LUEBEXWZKBYCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c1-5-2-7(15)14-9(13-5)6(3-12-14)10(18)11-4-8(16)17/h2-3,12H,4H2,1H3,(H,11,18)(H,16,17).
What are the key properties of 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid?
2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid has a molecular weight of 250.21 g/mol, XLogP of -0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 110485748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).