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

C11H11N3O2 — CID 612416

IUPACethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-5-3-4-6-12-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyUDPAIBGYGUIPAP-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.65
Rot. Bonds3

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

ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate (PubChem CID 612416) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
PubChem CID612416
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)n[nH]1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-5-3-4-6-12-8/h3-7H,2H2,1H3,(H,13,14)
InChIKeyUDPAIBGYGUIPAP-UHFFFAOYSA-N
XLogP1.65
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate (CID 612416) is ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccn2)n[nH]1.
What is the InChIKey of ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
The InChIKey is UDPAIBGYGUIPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)10-7-9(13-14-10)8-5-3-4-6-12-8/h3-7H,2H2,1H3,(H,13,14).
What are the key properties of ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate?
ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-pyridin-2-yl-1H-pyrazole-5-carboxylate is sourced from PubChem (CID 612416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).