3-pyridin-2-yl-1H-pyrazole-5-carboxylate

C9H6N3O2- — CID 2042241

IUPAC3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESO=C([O-])c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)/p-1
InChIKeySJBWHTBPIJXUFP-UHFFFAOYSA-M
MW188.17 g/mol
LogP-0.16
Rot. Bonds2

About 3-pyridin-2-yl-1H-pyrazole-5-carboxylate

3-pyridin-2-yl-1H-pyrazole-5-carboxylate (PubChem CID 2042241) has the molecular formula C9H6N3O2- and a molecular weight of 188.17 g/mol. Its IUPAC name is 3-pyridin-2-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Name3-pyridin-2-yl-1H-pyrazole-5-carboxylate
PubChem CID2042241
Molecular FormulaC9H6N3O2-
Molecular Weight188.17 g/mol
Exact Mass188.05
IUPAC Name3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESO=C([O-])c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)/p-1
InChIKeySJBWHTBPIJXUFP-UHFFFAOYSA-M
XLogP-0.16
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of 3-pyridin-2-yl-1H-pyrazole-5-carboxylate (CID 2042241) is 3-pyridin-2-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for 3-pyridin-2-yl-1H-pyrazole-5-carboxylate is O=C([O-])c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The InChIKey is SJBWHTBPIJXUFP-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H7N3O2/c13-9(14)8-5-7(11-12-8)6-3-1-2-4-10-6/h1-5H,(H,11,12)(H,13,14)/p-1.
What are the key properties of 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
3-pyridin-2-yl-1H-pyrazole-5-carboxylate has a molecular weight of 188.17 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 2042241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).