ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate

C18H16FN3O2 — CID 90206257

IUPACethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nn1Cc1ccccc1F
InChIInChI=1S/C18H16FN3O2/c1-2-24-18(23)17-11-16(15-9-5-6-10-20-15)21-22(17)12-13-7-3-4-8-14(13)19/h3-11H,2,12H2,1H3
InChIKeyPAJXPZYOLDOOOK-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.31
Rot. Bonds5

About ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate

ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate (PubChem CID 90206257) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate
PubChem CID90206257
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Nameethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccn2)nn1Cc1ccccc1F
InChIInChI=1S/C18H16FN3O2/c1-2-24-18(23)17-11-16(15-9-5-6-10-20-15)21-22(17)12-13-7-3-4-8-14(13)19/h3-11H,2,12H2,1H3
InChIKeyPAJXPZYOLDOOOK-UHFFFAOYSA-N
XLogP3.31
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
The IUPAC name of ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate (CID 90206257) is ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
The canonical SMILES for ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate is CCOC(=O)c1cc(-c2ccccn2)nn1Cc1ccccc1F.
What is the InChIKey of ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
The InChIKey is PAJXPZYOLDOOOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-2-24-18(23)17-11-16(15-9-5-6-10-20-15)21-22(17)12-13-7-3-4-8-14(13)19/h3-11H,2,12H2,1H3.
What are the key properties of ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate?
ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate has a molecular weight of 325.34 g/mol, XLogP of 3.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(2-fluorophenyl)methyl]-3-pyridin-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 90206257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).