ethyl 1-pyridin-3-ylpyrazole-4-carboxylate

C11H11N3O2 — CID 11160257

IUPACethyl 1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10/h3-8H,2H2,1H3
InChIKeyHTSHJGDGVAEYCN-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.44
Rot. Bonds3

About ethyl 1-pyridin-3-ylpyrazole-4-carboxylate

ethyl 1-pyridin-3-ylpyrazole-4-carboxylate (PubChem CID 11160257) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is ethyl 1-pyridin-3-ylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyridin-3-ylpyrazole-4-carboxylate
PubChem CID11160257
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Nameethyl 1-pyridin-3-ylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10/h3-8H,2H2,1H3
InChIKeyHTSHJGDGVAEYCN-UHFFFAOYSA-N
XLogP1.44
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyridin-3-ylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-pyridin-3-ylpyrazole-4-carboxylate (CID 11160257) is ethyl 1-pyridin-3-ylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-pyridin-3-ylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-pyridin-3-ylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2cccnc2)c1.
What is the InChIKey of ethyl 1-pyridin-3-ylpyrazole-4-carboxylate?
The InChIKey is HTSHJGDGVAEYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c1-2-16-11(15)9-6-13-14(8-9)10-4-3-5-12-7-10/h3-8H,2H2,1H3.
What are the key properties of ethyl 1-pyridin-3-ylpyrazole-4-carboxylate?
ethyl 1-pyridin-3-ylpyrazole-4-carboxylate has a molecular weight of 217.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyridin-3-ylpyrazole-4-carboxylate is sourced from PubChem (CID 11160257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).