2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid

C11H10ClN3O2 — CID 55170882

IUPAC2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid
SMILESNc1cc(-c2ccc(Cl)cc2)nn1CC(=O)O
InChIInChI=1S/C11H10ClN3O2/c12-8-3-1-7(2-4-8)9-5-10(13)15(14-9)6-11(16)17/h1-5H,6,13H2,(H,16,17)
InChIKeyQVWLBCXRYFULSI-UHFFFAOYSA-N
MW251.67 g/mol
LogP1.87
Rot. Bonds3

About 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid

2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid (PubChem CID 55170882) has the molecular formula C11H10ClN3O2 and a molecular weight of 251.67 g/mol. Its IUPAC name is 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid
PubChem CID55170882
Molecular FormulaC11H10ClN3O2
Molecular Weight251.67 g/mol
Exact Mass251.05
IUPAC Name2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid
SMILESNc1cc(-c2ccc(Cl)cc2)nn1CC(=O)O
InChIInChI=1S/C11H10ClN3O2/c12-8-3-1-7(2-4-8)9-5-10(13)15(14-9)6-11(16)17/h1-5H,6,13H2,(H,16,17)
InChIKeyQVWLBCXRYFULSI-UHFFFAOYSA-N
XLogP1.87
TPSA81.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid?
The IUPAC name of 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid (CID 55170882) is 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid.
What is the SMILES notation for 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid?
The canonical SMILES for 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid is Nc1cc(-c2ccc(Cl)cc2)nn1CC(=O)O.
What is the InChIKey of 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid?
The InChIKey is QVWLBCXRYFULSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2/c12-8-3-1-7(2-4-8)9-5-10(13)15(14-9)6-11(16)17/h1-5H,6,13H2,(H,16,17).
What are the key properties of 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid?
2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid has a molecular weight of 251.67 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-amino-3-(4-chlorophenyl)pyrazol-1-yl]acetic acid is sourced from PubChem (CID 55170882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).