methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate

C15H14F3N3O2 — CID 25015473

IUPACmethyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C15H14F3N3O2/c1-23-14(22)11-7-6-9(8-19-11)21-12-5-3-2-4-10(12)13(20-21)15(16,17)18/h6-8H,2-5H2,1H3
InChIKeySYJFJWFBFQCGPZ-UHFFFAOYSA-N
MW325.29 g/mol
LogP2.95
Rot. Bonds2

About methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate

methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate (PubChem CID 25015473) has the molecular formula C15H14F3N3O2 and a molecular weight of 325.29 g/mol. Its IUPAC name is methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate
PubChem CID25015473
Molecular FormulaC15H14F3N3O2
Molecular Weight325.29 g/mol
Exact Mass325.10
IUPAC Namemethyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1
InChIInChI=1S/C15H14F3N3O2/c1-23-14(22)11-7-6-9(8-19-11)21-12-5-3-2-4-10(12)13(20-21)15(16,17)18/h6-8H,2-5H2,1H3
InChIKeySYJFJWFBFQCGPZ-UHFFFAOYSA-N
XLogP2.95
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate (CID 25015473) is methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate is COC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cn1.
What is the InChIKey of methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate?
The InChIKey is SYJFJWFBFQCGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O2/c1-23-14(22)11-7-6-9(8-19-11)21-12-5-3-2-4-10(12)13(20-21)15(16,17)18/h6-8H,2-5H2,1H3.
What are the key properties of methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate?
methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate has a molecular weight of 325.29 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 25015473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).