3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

C16H11ClF3N3O — CID 135235660

IUPAC3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCn1ncc(Cl)c1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3N3O/c1-23-14(13(17)9-22-23)12-3-2-8-21-15(12)24-11-6-4-10(5-7-11)16(18,19)20/h2-9H,1H3
InChIKeyPZAIECDPMGAWRT-UHFFFAOYSA-N
MW353.73 g/mol
LogP4.95
Rot. Bonds3

About 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine

3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (PubChem CID 135235660) has the molecular formula C16H11ClF3N3O and a molecular weight of 353.73 g/mol. Its IUPAC name is 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.

Molecular Properties

Compound Name3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
PubChem CID135235660
Molecular FormulaC16H11ClF3N3O
Molecular Weight353.73 g/mol
Exact Mass353.05
IUPAC Name3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine
SMILESCn1ncc(Cl)c1-c1cccnc1Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3N3O/c1-23-14(13(17)9-22-23)12-3-2-8-21-15(12)24-11-6-4-10(5-7-11)16(18,19)20/h2-9H,1H3
InChIKeyPZAIECDPMGAWRT-UHFFFAOYSA-N
XLogP4.95
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.73
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]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 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The IUPAC name of 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine (CID 135235660) is 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine.
What is the SMILES notation for 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The canonical SMILES for 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is Cn1ncc(Cl)c1-c1cccnc1Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
The InChIKey is PZAIECDPMGAWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3N3O/c1-23-14(13(17)9-22-23)12-3-2-8-21-15(12)24-11-6-4-10(5-7-11)16(18,19)20/h2-9H,1H3.
What are the key properties of 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine?
3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine has a molecular weight of 353.73 g/mol, XLogP of 4.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-1-methylpyrazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]pyridine is sourced from PubChem (CID 135235660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).