2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid

C17H14N2O5 — CID 919830

IUPAC2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1
InChIInChI=1S/C17H14N2O5/c20-14-8-12(23-10-16(21)22)6-7-13(14)17-15(9-18-19-17)24-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,18,19)(H,21,22)
InChIKeyLRRAGYAQNDCAIR-UHFFFAOYSA-N
MW326.31 g/mol
LogP3.04
Rot. Bonds6

About 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid

2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid (PubChem CID 919830) has the molecular formula C17H14N2O5 and a molecular weight of 326.31 g/mol. Its IUPAC name is 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
PubChem CID919830
Molecular FormulaC17H14N2O5
Molecular Weight326.31 g/mol
Exact Mass326.09
IUPAC Name2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1
InChIInChI=1S/C17H14N2O5/c20-14-8-12(23-10-16(21)22)6-7-13(14)17-15(9-18-19-17)24-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,18,19)(H,21,22)
InChIKeyLRRAGYAQNDCAIR-UHFFFAOYSA-N
XLogP3.04
TPSA104.67 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 53.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid?
The IUPAC name of 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid (CID 919830) is 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid.
What is the SMILES notation for 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid?
The canonical SMILES for 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid is O=C(O)COc1ccc(-c2[nH]ncc2Oc2ccccc2)c(O)c1.
What is the InChIKey of 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid?
The InChIKey is LRRAGYAQNDCAIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5/c20-14-8-12(23-10-16(21)22)6-7-13(14)17-15(9-18-19-17)24-11-4-2-1-3-5-11/h1-9,20H,10H2,(H,18,19)(H,21,22).
What are the key properties of 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid?
2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid has a molecular weight of 326.31 g/mol, XLogP of 3.04, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-hydroxy-4-(4-phenoxy-1H-pyrazol-5-yl)phenoxy]acetic acid is sourced from PubChem (CID 919830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).