ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate

C16H14N4O2 — CID 2998819

IUPACethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-13(12-6-5-8-17-11-12)19-20(14)15-7-3-4-9-18-15/h3-11H,2H2,1H3
InChIKeySCCXFFVQODLYNF-UHFFFAOYSA-N
MW294.31 g/mol
LogP2.51
Rot. Bonds4

About ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate

ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate (PubChem CID 2998819) has the molecular formula C16H14N4O2 and a molecular weight of 294.31 g/mol. Its IUPAC name is ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
PubChem CID2998819
Molecular FormulaC16H14N4O2
Molecular Weight294.31 g/mol
Exact Mass294.11
IUPAC Nameethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1
InChIInChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-13(12-6-5-8-17-11-12)19-20(14)15-7-3-4-9-18-15/h3-11H,2H2,1H3
InChIKeySCCXFFVQODLYNF-UHFFFAOYSA-N
XLogP2.51
TPSA69.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate (CID 2998819) is ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccn1.
What is the InChIKey of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
The InChIKey is SCCXFFVQODLYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O2/c1-2-22-16(21)14-10-13(12-6-5-8-17-11-12)19-20(14)15-7-3-4-9-18-15/h3-11H,2H2,1H3.
What are the key properties of ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate?
ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate has a molecular weight of 294.31 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyridin-2-yl-3-pyridin-3-ylpyrazole-5-carboxylate is sourced from PubChem (CID 2998819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).