2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid

C11H10N2O3 — CID 84735122

IUPAC2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C11H10N2O3/c14-10-3-1-8(2-4-10)9-5-12-13(6-9)7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyAWWRTAXQXICCGH-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.34
Rot. Bonds3

About 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid

2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid (PubChem CID 84735122) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid
PubChem CID84735122
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid
SMILESO=C(O)Cn1cc(-c2ccc(O)cc2)cn1
InChIInChI=1S/C11H10N2O3/c14-10-3-1-8(2-4-10)9-5-12-13(6-9)7-11(15)16/h1-6,14H,7H2,(H,15,16)
InChIKeyAWWRTAXQXICCGH-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid (CID 84735122) is 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid is O=C(O)Cn1cc(-c2ccc(O)cc2)cn1.
What is the InChIKey of 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid?
The InChIKey is AWWRTAXQXICCGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10-3-1-8(2-4-10)9-5-12-13(6-9)7-11(15)16/h1-6,14H,7H2,(H,15,16).
What are the key properties of 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid?
2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid has a molecular weight of 218.21 g/mol, XLogP of 1.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-hydroxyphenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 84735122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).