ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate

C18H17N3O2 — CID 2405912

IUPACethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccc1C
InChIInChI=1S/C18H17N3O2/c1-3-23-18(22)17-11-15(14-8-6-10-19-12-14)20-21(17)16-9-5-4-7-13(16)2/h4-12H,3H2,1-2H3
InChIKeyNYDZGIOOYQHNDG-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.42
Rot. Bonds4

About ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate

ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate (PubChem CID 2405912) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
PubChem CID2405912
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC Nameethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccc1C
InChIInChI=1S/C18H17N3O2/c1-3-23-18(22)17-11-15(14-8-6-10-19-12-14)20-21(17)16-9-5-4-7-13(16)2/h4-12H,3H2,1-2H3
InChIKeyNYDZGIOOYQHNDG-UHFFFAOYSA-N
XLogP3.42
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate (CID 2405912) is ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2cccnc2)nn1-c1ccccc1C.
What is the InChIKey of ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate?
The InChIKey is NYDZGIOOYQHNDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-3-23-18(22)17-11-15(14-8-6-10-19-12-14)20-21(17)16-9-5-4-7-13(16)2/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate?
ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylate is sourced from PubChem (CID 2405912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).