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

C21H17N3O2 — CID 15956856

IUPACethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1
InChIInChI=1S/C21H17N3O2/c1-2-26-21(25)18-14-19(24(23-18)20-9-5-6-12-22-20)17-11-10-15-7-3-4-8-16(15)13-17/h3-14H,2H2,1H3
InChIKeyVAKGGNXBVOAJJH-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.26
Rot. Bonds4

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

ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate (PubChem CID 15956856) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate
PubChem CID15956856
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Nameethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1
InChIInChI=1S/C21H17N3O2/c1-2-26-21(25)18-14-19(24(23-18)20-9-5-6-12-22-20)17-11-10-15-7-3-4-8-16(15)13-17/h3-14H,2H2,1H3
InChIKeyVAKGGNXBVOAJJH-UHFFFAOYSA-N
XLogP4.26
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate?
The IUPAC name of ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate (CID 15956856) is ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate is CCOC(=O)c1cc(-c2ccc3ccccc3c2)n(-c2ccccn2)n1.
What is the InChIKey of ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate?
The InChIKey is VAKGGNXBVOAJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-2-26-21(25)18-14-19(24(23-18)20-9-5-6-12-22-20)17-11-10-15-7-3-4-8-16(15)13-17/h3-14H,2H2,1H3.
What are the key properties of ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate?
ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate has a molecular weight of 343.39 g/mol, XLogP of 4.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-naphthalen-2-yl-1-pyridin-2-ylpyrazole-3-carboxylate is sourced from PubChem (CID 15956856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).