1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid

C8H7N5O3 — CID 137007468

IUPAC1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESNc1c(-n2ccc(C(=O)O)n2)nc[nH]c1=O
InChIInChI=1S/C8H7N5O3/c9-5-6(10-3-11-7(5)14)13-2-1-4(12-13)8(15)16/h1-3H,9H2,(H,15,16)(H,10,11,14)
InChIKeyVESWOYMKPQPRIT-UHFFFAOYSA-N
MW221.18 g/mol
LogP-0.76
Rot. Bonds2

About 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid

1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid (PubChem CID 137007468) has the molecular formula C8H7N5O3 and a molecular weight of 221.18 g/mol. Its IUPAC name is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid
PubChem CID137007468
Molecular FormulaC8H7N5O3
Molecular Weight221.18 g/mol
Exact Mass221.05
IUPAC Name1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid
SMILESNc1c(-n2ccc(C(=O)O)n2)nc[nH]c1=O
InChIInChI=1S/C8H7N5O3/c9-5-6(10-3-11-7(5)14)13-2-1-4(12-13)8(15)16/h1-3H,9H2,(H,15,16)(H,10,11,14)
InChIKeyVESWOYMKPQPRIT-UHFFFAOYSA-N
XLogP-0.76
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid?
The IUPAC name of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid (CID 137007468) is 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid.
What is the SMILES notation for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid?
The canonical SMILES for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid is Nc1c(-n2ccc(C(=O)O)n2)nc[nH]c1=O.
What is the InChIKey of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid?
The InChIKey is VESWOYMKPQPRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O3/c9-5-6(10-3-11-7(5)14)13-2-1-4(12-13)8(15)16/h1-3H,9H2,(H,15,16)(H,10,11,14).
What are the key properties of 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid?
1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid has a molecular weight of 221.18 g/mol, XLogP of -0.76, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)pyrazole-3-carboxylic acid is sourced from PubChem (CID 137007468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).