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

C11H11N3O2 — CID 63328089

IUPAC2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid
SMILESNc1ccc(-c2cnn(CC(=O)O)c2)cc1
InChIInChI=1S/C11H11N3O2/c12-10-3-1-8(2-4-10)9-5-13-14(6-9)7-11(15)16/h1-6H,7,12H2,(H,15,16)
InChIKeyTVUXHYHBQHJFBG-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.22
Rot. Bonds3

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

2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid (PubChem CID 63328089) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid
PubChem CID63328089
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid
SMILESNc1ccc(-c2cnn(CC(=O)O)c2)cc1
InChIInChI=1S/C11H11N3O2/c12-10-3-1-8(2-4-10)9-5-13-14(6-9)7-11(15)16/h1-6H,7,12H2,(H,15,16)
InChIKeyTVUXHYHBQHJFBG-UHFFFAOYSA-N
XLogP1.22
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid (CID 63328089) is 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid is Nc1ccc(-c2cnn(CC(=O)O)c2)cc1.
What is the InChIKey of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid?
The InChIKey is TVUXHYHBQHJFBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10-3-1-8(2-4-10)9-5-13-14(6-9)7-11(15)16/h1-6H,7,12H2,(H,15,16).
What are the key properties of 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid?
2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-aminophenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 63328089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).