2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid

C10H10N4O2 — CID 121214144

IUPAC2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
SMILESNc1cc(-c2cccnc2)nn1CC(=O)O
InChIInChI=1S/C10H10N4O2/c11-9-4-8(7-2-1-3-12-5-7)13-14(9)6-10(15)16/h1-5H,6,11H2,(H,15,16)
InChIKeyDHDQMYZYOIXWMP-UHFFFAOYSA-N
MW218.22 g/mol
LogP0.61
Rot. Bonds3

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

2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid (PubChem CID 121214144) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid.

Molecular Properties

Compound Name2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
PubChem CID121214144
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
SMILESNc1cc(-c2cccnc2)nn1CC(=O)O
InChIInChI=1S/C10H10N4O2/c11-9-4-8(7-2-1-3-12-5-7)13-14(9)6-10(15)16/h1-5H,6,11H2,(H,15,16)
InChIKeyDHDQMYZYOIXWMP-UHFFFAOYSA-N
XLogP0.61
TPSA94.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
The IUPAC name of 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid (CID 121214144) is 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid.
What is the SMILES notation for 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
The canonical SMILES for 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid is Nc1cc(-c2cccnc2)nn1CC(=O)O.
What is the InChIKey of 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
The InChIKey is DHDQMYZYOIXWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-9-4-8(7-2-1-3-12-5-7)13-14(9)6-10(15)16/h1-5H,6,11H2,(H,15,16).
What are the key properties of 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid?
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid has a molecular weight of 218.22 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid is sourced from PubChem (CID 121214144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).