methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate

C16H11F3N2O2 — CID 86720253

IUPACmethyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C16H11F3N2O2/c1-23-15(22)11-6-7-21-14(8-11)13(9-20-21)10-2-4-12(5-3-10)16(17,18)19/h2-9H,1H3
InChIKeyNESIKQNZYFICFM-UHFFFAOYSA-N
MW320.27 g/mol
LogP3.81
Rot. Bonds2

About methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate

methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 86720253) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate
PubChem CID86720253
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC Namemethyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1
InChIInChI=1S/C16H11F3N2O2/c1-23-15(22)11-6-7-21-14(8-11)13(9-20-21)10-2-4-12(5-3-10)16(17,18)19/h2-9H,1H3
InChIKeyNESIKQNZYFICFM-UHFFFAOYSA-N
XLogP3.81
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate (CID 86720253) is methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1ccn2ncc(-c3ccc(C(F)(F)F)cc3)c2c1.
What is the InChIKey of methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is NESIKQNZYFICFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-23-15(22)11-6-7-21-14(8-11)13(9-20-21)10-2-4-12(5-3-10)16(17,18)19/h2-9H,1H3.
What are the key properties of methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate?
methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 320.27 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 86720253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).