4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine

C18H12F3N3O2 — CID 118539959

IUPAC4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
SMILESCn1nccc1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O2/c1-24-15(4-8-23-24)12-3-2-11(10-14(12)18(19,20)21)26-17-13-6-9-25-16(13)5-7-22-17/h2-10H,1H3
InChIKeyIEXQXNGTEGLAAI-UHFFFAOYSA-N
MW359.31 g/mol
LogP5.04
Rot. Bonds3

About 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine

4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine (PubChem CID 118539959) has the molecular formula C18H12F3N3O2 and a molecular weight of 359.31 g/mol. Its IUPAC name is 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine.

Molecular Properties

Compound Name4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
PubChem CID118539959
Molecular FormulaC18H12F3N3O2
Molecular Weight359.31 g/mol
Exact Mass359.09
IUPAC Name4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine
SMILESCn1nccc1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F
InChIInChI=1S/C18H12F3N3O2/c1-24-15(4-8-23-24)12-3-2-11(10-14(12)18(19,20)21)26-17-13-6-9-25-16(13)5-7-22-17/h2-10H,1H3
InChIKeyIEXQXNGTEGLAAI-UHFFFAOYSA-N
XLogP5.04
TPSA53.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.31
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine 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 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The IUPAC name of 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine (CID 118539959) is 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine.
What is the SMILES notation for 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The canonical SMILES for 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine is Cn1nccc1-c1ccc(Oc2nccc3occc23)cc1C(F)(F)F.
What is the InChIKey of 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
The InChIKey is IEXQXNGTEGLAAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O2/c1-24-15(4-8-23-24)12-3-2-11(10-14(12)18(19,20)21)26-17-13-6-9-25-16(13)5-7-22-17/h2-10H,1H3.
What are the key properties of 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine?
4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine has a molecular weight of 359.31 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methylpyrazol-3-yl)-3-(trifluoromethyl)phenoxy]furo[3,2-c]pyridine is sourced from PubChem (CID 118539959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).