2-(3-amino-1-phenylpyrazol-5-yl)acetic acid

C11H11N3O2 — CID 83863981

IUPAC2-(3-amino-1-phenylpyrazol-5-yl)acetic acid
SMILESNc1cc(CC(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C11H11N3O2/c12-10-6-9(7-11(15)16)14(13-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13)(H,15,16)
InChIKeyQJOQSYGUJDUBRI-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.08
Rot. Bonds3

About 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid

2-(3-amino-1-phenylpyrazol-5-yl)acetic acid (PubChem CID 83863981) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid.

Molecular Properties

Compound Name2-(3-amino-1-phenylpyrazol-5-yl)acetic acid
PubChem CID83863981
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-(3-amino-1-phenylpyrazol-5-yl)acetic acid
SMILESNc1cc(CC(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C11H11N3O2/c12-10-6-9(7-11(15)16)14(13-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13)(H,15,16)
InChIKeyQJOQSYGUJDUBRI-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid?
The IUPAC name of 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid (CID 83863981) is 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid.
What is the SMILES notation for 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid?
The canonical SMILES for 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid is Nc1cc(CC(=O)O)n(-c2ccccc2)n1.
What is the InChIKey of 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid?
The InChIKey is QJOQSYGUJDUBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10-6-9(7-11(15)16)14(13-10)8-4-2-1-3-5-8/h1-6H,7H2,(H2,12,13)(H,15,16).
What are the key properties of 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid?
2-(3-amino-1-phenylpyrazol-5-yl)acetic acid has a molecular weight of 217.23 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-1-phenylpyrazol-5-yl)acetic acid is sourced from PubChem (CID 83863981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).