ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate

C12H10F3N3O2 — CID 58504358

IUPACethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-2-20-11(19)8-7-17-18(10(8)12(13,14)15)9-5-3-4-6-16-9/h3-7H,2H2,1H3
InChIKeyKFPLWVWFMAZTQQ-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.46
Rot. Bonds3

About ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate

ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate (PubChem CID 58504358) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
PubChem CID58504358
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Nameethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C12H10F3N3O2/c1-2-20-11(19)8-7-17-18(10(8)12(13,14)15)9-5-3-4-6-16-9/h3-7H,2H2,1H3
InChIKeyKFPLWVWFMAZTQQ-UHFFFAOYSA-N
XLogP2.46
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate (CID 58504358) is ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccccn2)c1C(F)(F)F.
What is the InChIKey of ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
The InChIKey is KFPLWVWFMAZTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-2-20-11(19)8-7-17-18(10(8)12(13,14)15)9-5-3-4-6-16-9/h3-7H,2H2,1H3.
What are the key properties of ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate?
ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate has a molecular weight of 285.23 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 58504358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).