2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid

C11H11N3O2 — CID 77128768

IUPAC2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H11N3O2/c12-10(11(15)16)8-2-4-9(5-3-8)14-7-1-6-13-14/h1-7,10H,12H2,(H,15,16)
InChIKeyMARHDOWBEMHBTD-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.96
Rot. Bonds3

About 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid

2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid (PubChem CID 77128768) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid.

Molecular Properties

Compound Name2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid
PubChem CID77128768
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid
SMILESNC(C(=O)O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H11N3O2/c12-10(11(15)16)8-2-4-9(5-3-8)14-7-1-6-13-14/h1-7,10H,12H2,(H,15,16)
InChIKeyMARHDOWBEMHBTD-UHFFFAOYSA-N
XLogP0.96
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 ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid?
The IUPAC name of 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid (CID 77128768) is 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid.
What is the SMILES notation for 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid?
The canonical SMILES for 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid is NC(C(=O)O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid?
The InChIKey is MARHDOWBEMHBTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-10(11(15)16)8-2-4-9(5-3-8)14-7-1-6-13-14/h1-7,10H,12H2,(H,15,16).
What are the key properties of 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid?
2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid has a molecular weight of 217.23 g/mol, XLogP of 0.96, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid is sourced from PubChem (CID 77128768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).