[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid

C7H7N2O4P — CID 139950211

IUPAC[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid
SMILESO=P(O)(O)c1ccoc1-c1ccn[nH]1
InChIInChI=1S/C7H7N2O4P/c10-14(11,12)6-2-4-13-7(6)5-1-3-8-9-5/h1-4H,(H,8,9)(H2,10,11,12)
InChIKeyKSPHLEIMSZLIEE-UHFFFAOYSA-N
MW214.12 g/mol
LogP0.47
Rot. Bonds2

About [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid

[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid (PubChem CID 139950211) has the molecular formula C7H7N2O4P and a molecular weight of 214.12 g/mol. Its IUPAC name is [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid.

Molecular Properties

Compound Name[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid
PubChem CID139950211
Molecular FormulaC7H7N2O4P
Molecular Weight214.12 g/mol
Exact Mass214.01
IUPAC Name[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid
SMILESO=P(O)(O)c1ccoc1-c1ccn[nH]1
InChIInChI=1S/C7H7N2O4P/c10-14(11,12)6-2-4-13-7(6)5-1-3-8-9-5/h1-4H,(H,8,9)(H2,10,11,12)
InChIKeyKSPHLEIMSZLIEE-UHFFFAOYSA-N
XLogP0.47
TPSA99.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.12
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid?
The IUPAC name of [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid (CID 139950211) is [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid.
What is the SMILES notation for [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid?
The canonical SMILES for [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid is O=P(O)(O)c1ccoc1-c1ccn[nH]1.
What is the InChIKey of [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid?
The InChIKey is KSPHLEIMSZLIEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N2O4P/c10-14(11,12)6-2-4-13-7(6)5-1-3-8-9-5/h1-4H,(H,8,9)(H2,10,11,12).
What are the key properties of [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid?
[2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid has a molecular weight of 214.12 g/mol, XLogP of 0.47, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1H-pyrazol-5-yl)furan-3-yl]phosphonic acid is sourced from PubChem (CID 139950211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).