hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium

C5H6N2O5P+ — CID 174865982

IUPAChydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium
SMILESO=C(CO[P+](=O)O)Oc1ccn[nH]1
InChIInChI=1S/C5H5N2O5P/c8-5(3-11-13(9)10)12-4-1-2-6-7-4/h1-2H,3H2,(H-,6,7,9,10)/p+1
InChIKeyWWSUNGNXVWONQD-UHFFFAOYSA-O
MW205.09 g/mol
LogP-0.02
Rot. Bonds4

About hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium

hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium (PubChem CID 174865982) has the molecular formula C5H6N2O5P+ and a molecular weight of 205.09 g/mol. Its IUPAC name is hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium.

Molecular Properties

Compound Namehydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium
PubChem CID174865982
Molecular FormulaC5H6N2O5P+
Molecular Weight205.09 g/mol
Exact Mass205.00
IUPAC Namehydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium
SMILESO=C(CO[P+](=O)O)Oc1ccn[nH]1
InChIInChI=1S/C5H5N2O5P/c8-5(3-11-13(9)10)12-4-1-2-6-7-4/h1-2H,3H2,(H-,6,7,9,10)/p+1
InChIKeyWWSUNGNXVWONQD-UHFFFAOYSA-O
XLogP-0.02
TPSA101.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.09
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

CID 174155754
CID 174155754
1H-pyrazol-5-yl N-methylcarbamate
CID 154289167
2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
CID 174804898
1H-pyrazol-5-yl 1,3-dimethylpyrazole-4-carboxylate
CID 164529326
1H-pyrazol-5-yl sulfanyl hydrogen phosphate
CID 88718665
dihydroxy(oxo)phosphanium;1H-pyrazole-5-carboxylic acid
CID 158864481
oxo(1H-pyrazol-5-yloxy)borane
CID 90694774
4-(1H-pyrazol-5-yloxymethyl)pyridine
CID 164914774
hydroxy-oxo-(1H-1,2,4-triazol-5-ylmethoxy)phosphanium
CID 70645510
5-ethoxy-1H-pyrazole;hydrochloride
CID 174906151
1H-pyrazol-5-yl 3,5-dihydroxyhexaneperoxoate
CID 87898519
1-[2-(1H-pyrazol-5-yloxy)prop-2-enyl]piperidine
CID 89415426

Frequently Asked Questions

What is the IUPAC name of hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium?
The IUPAC name of hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium (CID 174865982) is hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium.
What is the SMILES notation for hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium?
The canonical SMILES for hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium is O=C(CO[P+](=O)O)Oc1ccn[nH]1.
What is the InChIKey of hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium?
The InChIKey is WWSUNGNXVWONQD-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H5N2O5P/c8-5(3-11-13(9)10)12-4-1-2-6-7-4/h1-2H,3H2,(H-,6,7,9,10)/p+1.
What are the key properties of hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium?
hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium has a molecular weight of 205.09 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-oxo-[2-oxo-2-(1H-pyrazol-5-yloxy)ethoxy]phosphanium is sourced from PubChem (CID 174865982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).