2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid

C10H10N3O2+ — CID 154673690

IUPAC2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid
SMILESO=C(O)C[n+]1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C10H9N3O2/c14-10(15)7-13-5-2-8(3-6-13)9-1-4-11-12-9/h1-6H,7H2,(H,14,15)/p+1
InChIKeyRPRZQFHNLRQLKF-UHFFFAOYSA-O
MW204.21 g/mol
LogP0.45
Rot. Bonds3

About 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid

2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid (PubChem CID 154673690) has the molecular formula C10H10N3O2+ and a molecular weight of 204.21 g/mol. Its IUPAC name is 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid
PubChem CID154673690
Molecular FormulaC10H10N3O2+
Molecular Weight204.21 g/mol
Exact Mass204.08
IUPAC Name2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid
SMILESO=C(O)C[n+]1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C10H9N3O2/c14-10(15)7-13-5-2-8(3-6-13)9-1-4-11-12-9/h1-6H,7H2,(H,14,15)/p+1
InChIKeyRPRZQFHNLRQLKF-UHFFFAOYSA-O
XLogP0.45
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid?
The IUPAC name of 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid (CID 154673690) is 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid?
The canonical SMILES for 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid is O=C(O)C[n+]1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid?
The InChIKey is RPRZQFHNLRQLKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H9N3O2/c14-10(15)7-13-5-2-8(3-6-13)9-1-4-11-12-9/h1-6H,7H2,(H,14,15)/p+1.
What are the key properties of 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid?
2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid has a molecular weight of 204.21 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1H-pyrazol-5-yl)pyridin-1-ium-1-yl]acetic acid is sourced from PubChem (CID 154673690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).