oxalic acid;1H-pyrazole

C5H6N2O4 — CID 19047607

IUPACoxalic acid;1H-pyrazole
SMILESO=C(O)C(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H2O4/c1-2-4-5-3-1;3-1(4)2(5)6/h1-3H,(H,4,5);(H,3,4)(H,5,6)
InChIKeyZRWBJOPPMWCHQA-UHFFFAOYSA-N
MW158.11 g/mol
LogP-0.43
Rot. Bonds

About oxalic acid;1H-pyrazole

oxalic acid;1H-pyrazole (PubChem CID 19047607) has the molecular formula C5H6N2O4 and a molecular weight of 158.11 g/mol. Its IUPAC name is oxalic acid;1H-pyrazole.

Molecular Properties

Compound Nameoxalic acid;1H-pyrazole
PubChem CID19047607
Molecular FormulaC5H6N2O4
Molecular Weight158.11 g/mol
Exact Mass158.03
IUPAC Nameoxalic acid;1H-pyrazole
SMILESO=C(O)C(=O)O.c1cn[nH]c1
InChIInChI=1S/C3H4N2.C2H2O4/c1-2-4-5-3-1;3-1(4)2(5)6/h1-3H,(H,4,5);(H,3,4)(H,5,6)
InChIKeyZRWBJOPPMWCHQA-UHFFFAOYSA-N
XLogP-0.43
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.11
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of oxalic acid;1H-pyrazole?
The IUPAC name of oxalic acid;1H-pyrazole (CID 19047607) is oxalic acid;1H-pyrazole.
What is the SMILES notation for oxalic acid;1H-pyrazole?
The canonical SMILES for oxalic acid;1H-pyrazole is O=C(O)C(=O)O.c1cn[nH]c1.
What is the InChIKey of oxalic acid;1H-pyrazole?
The InChIKey is ZRWBJOPPMWCHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4N2.C2H2O4/c1-2-4-5-3-1;3-1(4)2(5)6/h1-3H,(H,4,5);(H,3,4)(H,5,6).
What are the key properties of oxalic acid;1H-pyrazole?
oxalic acid;1H-pyrazole has a molecular weight of 158.11 g/mol, XLogP of -0.43, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxalic acid;1H-pyrazole is sourced from PubChem (CID 19047607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).