methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate

C12H10F3N3O2 — CID 90383212

IUPACmethyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2cccc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C12H10F3N3O2/c1-18-10(11(19)20-2)7(6-16-18)8-4-3-5-9(17-8)12(13,14)15/h3-6H,1-2H3
InChIKeyZTRSUWGTTRHCRO-UHFFFAOYSA-N
MW285.23 g/mol
LogP2.29
Rot. Bonds2

About methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate

methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate (PubChem CID 90383212) has the molecular formula C12H10F3N3O2 and a molecular weight of 285.23 g/mol. Its IUPAC name is methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate
PubChem CID90383212
Molecular FormulaC12H10F3N3O2
Molecular Weight285.23 g/mol
Exact Mass285.07
IUPAC Namemethyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate
SMILESCOC(=O)c1c(-c2cccc(C(F)(F)F)n2)cnn1C
InChIInChI=1S/C12H10F3N3O2/c1-18-10(11(19)20-2)7(6-16-18)8-4-3-5-9(17-8)12(13,14)15/h3-6H,1-2H3
InChIKeyZTRSUWGTTRHCRO-UHFFFAOYSA-N
XLogP2.29
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.23
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-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 methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate (CID 90383212) is methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate is COC(=O)c1c(-c2cccc(C(F)(F)F)n2)cnn1C.
What is the InChIKey of methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate?
The InChIKey is ZTRSUWGTTRHCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3N3O2/c1-18-10(11(19)20-2)7(6-16-18)8-4-3-5-9(17-8)12(13,14)15/h3-6H,1-2H3.
What are the key properties of methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate?
methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate has a molecular weight of 285.23 g/mol, XLogP of 2.29, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazole-5-carboxylate is sourced from PubChem (CID 90383212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).