dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid

C4H6N2O5P+ — CID 158864481

IUPACdihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1ccn[nH]1.O=[P+](O)O
InChIInChI=1S/C4H4N2O2.HO3P/c7-4(8)3-1-2-5-6-3;1-4(2)3/h1-2H,(H,5,6)(H,7,8);(H-,1,2,3)/p+1
InChIKeyOMDAHOMPBONDCB-UHFFFAOYSA-O
MW193.07 g/mol
LogP-0.26
Rot. Bonds1

About dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid

dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid (PubChem CID 158864481) has the molecular formula C4H6N2O5P+ and a molecular weight of 193.07 g/mol. Its IUPAC name is dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Namedihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
PubChem CID158864481
Molecular FormulaC4H6N2O5P+
Molecular Weight193.07 g/mol
Exact Mass193.00
IUPAC Namedihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
SMILESO=C(O)c1ccn[nH]1.O=[P+](O)O
InChIInChI=1S/C4H4N2O2.HO3P/c7-4(8)3-1-2-5-6-3;1-4(2)3/h1-2H,(H,5,6)(H,7,8);(H-,1,2,3)/p+1
InChIKeyOMDAHOMPBONDCB-UHFFFAOYSA-O
XLogP-0.26
TPSA123.51 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.07
LogP ≤ 5-0.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-pyrazole-5-carboxylic acid;zinc
CID 158581218
piperidin-1-amine;1H-pyrazole-5-carboxylic acid
CID 172745685
1H-imidazole;1H-pyrazole-5-carboxylic acid
CID 69227863
2-(1H-pyrazol-5-yl)prop-2-enoic acid
CID 68994792
1H-pyrazole-5-carboxylic acid;1,3,5-trimethylpyrazole
CID 68956429
1H-pyrazole-5-carboxylic acid;1,3,4-trimethylpyrazole
CID 68957529
copper(1+);1H-pyrazole-5-carboxylate
CID 70037114
1H-pyrazole-5-carboxamide;hydrate
CID 172743817
N-phenyl-1H-pyrazole-5-carboxamide
CID 680935
carboxy 1H-pyrazole-5-carboxylate
CID 154449295
N'-benzoyl-1H-pyrazole-5-carbohydrazide
CID 12921225
3-ethyl-1H-indole;1H-pyrazole-5-carboxylic acid
CID 157088032

Frequently Asked Questions

What is the IUPAC name of dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid?
The IUPAC name of dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid (CID 158864481) is dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid?
The canonical SMILES for dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid is O=C(O)c1ccn[nH]1.O=[P+](O)O.
What is the InChIKey of dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid?
The InChIKey is OMDAHOMPBONDCB-UHFFFAOYSA-O. The full InChI is InChI=1S/C4H4N2O2.HO3P/c7-4(8)3-1-2-5-6-3;1-4(2)3/h1-2H,(H,5,6)(H,7,8);(H-,1,2,3)/p+1.
What are the key properties of dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid?
dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid has a molecular weight of 193.07 g/mol, XLogP of -0.26, 1 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 158864481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).