methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate

C14H13F3N2O2 — CID 67112358

IUPACmethyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1C
InChIInChI=1S/C14H13F3N2O2/c1-7-10-5-9(8-3-4-8)6-11(14(15,16)17)19(10)18-12(7)13(20)21-2/h5-6,8H,3-4H2,1-2H3
InChIKeySGRVHMPULYLBJM-UHFFFAOYSA-N
MW298.26 g/mol
LogP3.33
Rot. Bonds2

About methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate

methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate (PubChem CID 67112358) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate
PubChem CID67112358
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Namemethyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate
SMILESCOC(=O)c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1C
InChIInChI=1S/C14H13F3N2O2/c1-7-10-5-9(8-3-4-8)6-11(14(15,16)17)19(10)18-12(7)13(20)21-2/h5-6,8H,3-4H2,1-2H3
InChIKeySGRVHMPULYLBJM-UHFFFAOYSA-N
XLogP3.33
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The IUPAC name of methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate (CID 67112358) is methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate is COC(=O)c1nn2c(C(F)(F)F)cc(C3CC3)cc2c1C.
What is the InChIKey of methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
The InChIKey is SGRVHMPULYLBJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N2O2/c1-7-10-5-9(8-3-4-8)6-11(14(15,16)17)19(10)18-12(7)13(20)21-2/h5-6,8H,3-4H2,1-2H3.
What are the key properties of methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate?
methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate has a molecular weight of 298.26 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-cyclopropyl-3-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyridine-2-carboxylate is sourced from PubChem (CID 67112358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).