ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

C14H14F3N3O2 — CID 1472342

IUPACethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ncccc2C(F)(F)F)c1C
InChIInChI=1S/C14H14F3N3O2/c1-4-22-13(21)11-8(2)19-20(9(11)3)12-10(14(15,16)17)6-5-7-18-12/h5-7H,4H2,1-3H3
InChIKeyFZWXOCKGVVONDX-UHFFFAOYSA-N
MW313.28 g/mol
LogP3.08
Rot. Bonds3

About ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate

ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (PubChem CID 1472342) has the molecular formula C14H14F3N3O2 and a molecular weight of 313.28 g/mol. Its IUPAC name is ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
PubChem CID1472342
Molecular FormulaC14H14F3N3O2
Molecular Weight313.28 g/mol
Exact Mass313.10
IUPAC Nameethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1c(C)nn(-c2ncccc2C(F)(F)F)c1C
InChIInChI=1S/C14H14F3N3O2/c1-4-22-13(21)11-8(2)19-20(9(11)3)12-10(14(15,16)17)6-5-7-18-12/h5-7H,4H2,1-3H3
InChIKeyFZWXOCKGVVONDX-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

Analyze ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate (CID 1472342) is ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is CCOC(=O)c1c(C)nn(-c2ncccc2C(F)(F)F)c1C.
What is the InChIKey of ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
The InChIKey is FZWXOCKGVVONDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O2/c1-4-22-13(21)11-8(2)19-20(9(11)3)12-10(14(15,16)17)6-5-7-18-12/h5-7H,4H2,1-3H3.
What are the key properties of ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate?
ethyl 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-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 3,5-dimethyl-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate is sourced from PubChem (CID 1472342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).