ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

C14H14F3N3O2 — CID 134397104

IUPACethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-4-22-13(21)11-6-9(3)19-20(11)12-7-10(14(15,16)17)5-8(2)18-12/h5-7H,4H2,1-3H3
InChIKeyHAAMQNJXSTVAAF-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.08
Rot. Bonds3

About ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate

ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (PubChem CID 134397104) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
PubChem CID134397104
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Nameethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(C)nn1-c1cc(C(F)(F)F)cc(C)n1
InChIInChI=1S/C14H14F3N3O2/c1-4-22-13(21)11-6-9(3)19-20(11)12-7-10(14(15,16)17)5-8(2)18-12/h5-7H,4H2,1-3H3
InChIKeyHAAMQNJXSTVAAF-UHFFFAOYSA-N
XLogP3.08
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.28
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 46743357
ethyl 6-bromo-4-(trifluoromethyl)pyridine-2-carboxylate
CID 133097887
3-(5-ethoxycarbonyl-3-methylpyrazol-1-yl)-4-methylsulfonylbenzoic acid
CID 22728900
lithium;ethyl 5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylate;methane;5-methyl-2-pyrazin-2-ylpyrazole-3-carboxylic acid;hydroxide;hydrate
CID 167621727
ethyl 3-pyridin-3-yl-1-[3-(trifluoromethyl)phenyl]pyrazole-5-carboxylate
CID 4225085
[2-imino-2-[5-methyl-1-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]ethyl] benzoate
CID 22302101
ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 2805607
ethyl 6-(difluoromethyl)-4-(trifluoromethyl)pyridine-2-carboxylate
CID 134664341
ethyl 5-methyl-2-[3-(phenylmethoxymethyl)phenyl]pyrazole-3-carboxylate
CID 134396871
ethyl 1-(2-chlorophenyl)-3-(trifluoromethyl)pyrazole-5-carboxylate
CID 59240163
ethyl 5-iodo-1-methyl-2-[4-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 135222439
ethyl 4-[4,6-bis(trifluoromethyl)-2-pyridinyl]piperazine-1-carboxylate
CID 2747411

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate (CID 134397104) is ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is CCOC(=O)c1cc(C)nn1-c1cc(C(F)(F)F)cc(C)n1.
What is the InChIKey of ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
The InChIKey is HAAMQNJXSTVAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-4-22-13(21)11-6-9(3)19-20(11)12-7-10(14(15,16)17)5-8(2)18-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate?
ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate has a molecular weight of 313.28 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]pyrazole-3-carboxylate is sourced from PubChem (CID 134397104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).