(1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid

C5H10N2O6P2 — CID 23043575

IUPAC(1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid
SMILESO=P(O)(O)C(Cn1cccn1)P(=O)(O)O
InChIInChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)4-7-3-1-2-6-7/h1-3,5H,4H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyUUGUSMHQBIUYKQ-UHFFFAOYSA-N
MW256.09 g/mol
LogP-0.44
Rot. Bonds4

About (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid

(1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid (PubChem CID 23043575) has the molecular formula C5H10N2O6P2 and a molecular weight of 256.09 g/mol. Its IUPAC name is (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid.

Molecular Properties

Compound Name(1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid
PubChem CID23043575
Molecular FormulaC5H10N2O6P2
Molecular Weight256.09 g/mol
Exact Mass256.00
IUPAC Name(1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid
SMILESO=P(O)(O)C(Cn1cccn1)P(=O)(O)O
InChIInChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)4-7-3-1-2-6-7/h1-3,5H,4H2,(H2,8,9,10)(H2,11,12,13)
InChIKeyUUGUSMHQBIUYKQ-UHFFFAOYSA-N
XLogP-0.44
TPSA132.88 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.09
LogP ≤ 5-0.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid?
The IUPAC name of (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid (CID 23043575) is (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid.
What is the SMILES notation for (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid?
The canonical SMILES for (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid is O=P(O)(O)C(Cn1cccn1)P(=O)(O)O.
What is the InChIKey of (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid?
The InChIKey is UUGUSMHQBIUYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O6P2/c8-14(9,10)5(15(11,12)13)4-7-3-1-2-6-7/h1-3,5H,4H2,(H2,8,9,10)(H2,11,12,13).
What are the key properties of (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid?
(1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid has a molecular weight of 256.09 g/mol, XLogP of -0.44, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-phosphono-2-pyrazol-1-ylethyl)phosphonic acid is sourced from PubChem (CID 23043575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).