2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid

C10H10N4O6 — CID 174804898

IUPAC2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
SMILESO=C(O)C(Oc1ccn[nH]1)C(Oc1ccn[nH]1)C(=O)O
InChIInChI=1S/C10H10N4O6/c15-9(16)7(19-5-1-3-11-13-5)8(10(17)18)20-6-2-4-12-14-6/h1-4,7-8H,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
InChIKeyVJTUQWRNIQYVMG-UHFFFAOYSA-N
MW282.21 g/mol
LogP-0.50
Rot. Bonds7

About 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid

2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid (PubChem CID 174804898) has the molecular formula C10H10N4O6 and a molecular weight of 282.21 g/mol. Its IUPAC name is 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid.

Molecular Properties

Compound Name2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
PubChem CID174804898
Molecular FormulaC10H10N4O6
Molecular Weight282.21 g/mol
Exact Mass282.06
IUPAC Name2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid
SMILESO=C(O)C(Oc1ccn[nH]1)C(Oc1ccn[nH]1)C(=O)O
InChIInChI=1S/C10H10N4O6/c15-9(16)7(19-5-1-3-11-13-5)8(10(17)18)20-6-2-4-12-14-6/h1-4,7-8H,(H,11,13)(H,12,14)(H,15,16)(H,17,18)
InChIKeyVJTUQWRNIQYVMG-UHFFFAOYSA-N
XLogP-0.50
TPSA150.42 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid?
The IUPAC name of 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid (CID 174804898) is 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid.
What is the SMILES notation for 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid?
The canonical SMILES for 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid is O=C(O)C(Oc1ccn[nH]1)C(Oc1ccn[nH]1)C(=O)O.
What is the InChIKey of 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid?
The InChIKey is VJTUQWRNIQYVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O6/c15-9(16)7(19-5-1-3-11-13-5)8(10(17)18)20-6-2-4-12-14-6/h1-4,7-8H,(H,11,13)(H,12,14)(H,15,16)(H,17,18).
What are the key properties of 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid?
2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid has a molecular weight of 282.21 g/mol, XLogP of -0.50, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(1H-pyrazol-5-yloxy)butanedioic acid is sourced from PubChem (CID 174804898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).