2-(1H-pyrazol-5-yloxy)acetic acid

C5H6N2O3 — CID 54453626

IUPAC2-(1H-pyrazol-5-yloxy)acetic acid
SMILESO=C(O)COc1ccn[nH]1
InChIInChI=1S/C5H6N2O3/c8-5(9)3-10-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
InChIKeyWWQSCJXWLLECRO-UHFFFAOYSA-N
MW142.11 g/mol
LogP-0.13
Rot. Bonds3

About 2-(1H-pyrazol-5-yloxy)acetic acid

2-(1H-pyrazol-5-yloxy)acetic acid (PubChem CID 54453626) has the molecular formula C5H6N2O3 and a molecular weight of 142.11 g/mol. Its IUPAC name is 2-(1H-pyrazol-5-yloxy)acetic acid.

Molecular Properties

Compound Name2-(1H-pyrazol-5-yloxy)acetic acid
PubChem CID54453626
Molecular FormulaC5H6N2O3
Molecular Weight142.11 g/mol
Exact Mass142.04
IUPAC Name2-(1H-pyrazol-5-yloxy)acetic acid
SMILESO=C(O)COc1ccn[nH]1
InChIInChI=1S/C5H6N2O3/c8-5(9)3-10-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)(H,8,9)
InChIKeyWWQSCJXWLLECRO-UHFFFAOYSA-N
XLogP-0.13
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.11
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-pyrazol-5-yloxy)acetic acid?
The IUPAC name of 2-(1H-pyrazol-5-yloxy)acetic acid (CID 54453626) is 2-(1H-pyrazol-5-yloxy)acetic acid.
What is the SMILES notation for 2-(1H-pyrazol-5-yloxy)acetic acid?
The canonical SMILES for 2-(1H-pyrazol-5-yloxy)acetic acid is O=C(O)COc1ccn[nH]1.
What is the InChIKey of 2-(1H-pyrazol-5-yloxy)acetic acid?
The InChIKey is WWQSCJXWLLECRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2O3/c8-5(9)3-10-4-1-2-6-7-4/h1-2H,3H2,(H,6,7)(H,8,9).
What are the key properties of 2-(1H-pyrazol-5-yloxy)acetic acid?
2-(1H-pyrazol-5-yloxy)acetic acid has a molecular weight of 142.11 g/mol, XLogP of -0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-pyrazol-5-yloxy)acetic acid is sourced from PubChem (CID 54453626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).