5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine

C14H9ClF3N3O — CID 162568526

IUPAC5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine
SMILESCc1cc(Cl)cnc1-n1nc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C14H9ClF3N3O/c1-8-5-9(15)7-19-13(8)21-10(11-3-2-4-22-11)6-12(20-21)14(16,17)18/h2-7H,1H3
InChIKeySAOFFWOMHWIGJE-UHFFFAOYSA-N
MW327.69 g/mol
LogP4.51
Rot. Bonds2

About 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine

5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine (PubChem CID 162568526) has the molecular formula C14H9ClF3N3O and a molecular weight of 327.69 g/mol. Its IUPAC name is 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine.

Molecular Properties

Compound Name5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine
PubChem CID162568526
Molecular FormulaC14H9ClF3N3O
Molecular Weight327.69 g/mol
Exact Mass327.04
IUPAC Name5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine
SMILESCc1cc(Cl)cnc1-n1nc(C(F)(F)F)cc1-c1ccco1
InChIInChI=1S/C14H9ClF3N3O/c1-8-5-9(15)7-19-13(8)21-10(11-3-2-4-22-11)6-12(20-21)14(16,17)18/h2-7H,1H3
InChIKeySAOFFWOMHWIGJE-UHFFFAOYSA-N
XLogP4.51
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.69
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine?
The IUPAC name of 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine (CID 162568526) is 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine.
What is the SMILES notation for 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine?
The canonical SMILES for 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine is Cc1cc(Cl)cnc1-n1nc(C(F)(F)F)cc1-c1ccco1.
What is the InChIKey of 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine?
The InChIKey is SAOFFWOMHWIGJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF3N3O/c1-8-5-9(15)7-19-13(8)21-10(11-3-2-4-22-11)6-12(20-21)14(16,17)18/h2-7H,1H3.
What are the key properties of 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine?
5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine has a molecular weight of 327.69 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[5-(furan-2-yl)-3-(trifluoromethyl)pyrazol-1-yl]-3-methylpyridine is sourced from PubChem (CID 162568526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).