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

C11H12ClN3O2 — CID 118723771

IUPAC2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H11N3O2.ClH/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);1H
InChIKeyAMPPYVSYNCYQEV-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.38
Rot. Bonds3

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

2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride (PubChem CID 118723771) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride.

Molecular Properties

Compound Name2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
PubChem CID118723771
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride
SMILESCl.NC(C(=O)O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C11H11N3O2.ClH/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);1H
InChIKeyAMPPYVSYNCYQEV-UHFFFAOYSA-N
XLogP1.38
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.38
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;hydrochloride?
The IUPAC name of 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride (CID 118723771) is 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride.
What is the SMILES notation for 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride?
The canonical SMILES for 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride is Cl.NC(C(=O)O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride?
The InChIKey is AMPPYVSYNCYQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2.ClH/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);1H.
What are the key properties of 2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride?
2-amino-2-(4-pyrazol-1-ylphenyl)acetic acid;hydrochloride has a molecular weight of 253.69 g/mol, XLogP of 1.38, 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;hydrochloride is sourced from PubChem (CID 118723771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).