5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

C17H9F3N4 — CID 118437879

IUPAC5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(F)c(F)c(-c2ncccc2-c2ccn3nccc3n2)c1
InChIInChI=1S/C17H9F3N4/c18-10-8-12(16(20)13(19)9-10)17-11(2-1-5-21-17)14-4-7-24-15(23-14)3-6-22-24/h1-9H
InChIKeyAYUHRCDACUVWIA-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.88
Rot. Bonds2

About 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine

5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 118437879) has the molecular formula C17H9F3N4 and a molecular weight of 326.28 g/mol. Its IUPAC name is 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
PubChem CID118437879
Molecular FormulaC17H9F3N4
Molecular Weight326.28 g/mol
Exact Mass326.08
IUPAC Name5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
SMILESFc1cc(F)c(F)c(-c2ncccc2-c2ccn3nccc3n2)c1
InChIInChI=1S/C17H9F3N4/c18-10-8-12(16(20)13(19)9-10)17-11(2-1-5-21-17)14-4-7-24-15(23-14)3-6-22-24/h1-9H
InChIKeyAYUHRCDACUVWIA-UHFFFAOYSA-N
XLogP3.88
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 90095712
5-[2-(5-fluoro-6-methyl-2-pyridinyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 122478589
7-[2-(3,4,5-trifluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 90095643
4-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]-2,5-dihydropyrimidine
CID 123222423
5-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-chlorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-cyclopropylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(3-methylphenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-[3-(trifluoromethyl)phenyl]-3-pyridinyl]pyrazolo[1,5-a]pyrimidine;5-[2-(2,4,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 159263833
7-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 90096257
5-[[(3-fluoro-4-pyrazolo[1,5-a]pyrimidin-5-yl-2-pyridinyl)amino]methyl]-2-(2-methyl-4-pyridinyl)pyridine-3-carbonitrile
CID 129033419
8-(2,3,5-trifluorophenyl)cinnoline
CID 175737885
5-[5-[2-(3-fluorophenyl)ethynyl]thiophen-2-yl]pyrazolo[1,5-a]pyrimidine
CID 68607014
6-[2-(5-chloro-2-fluorophenyl)-3-pyridinyl]-2,3-dimethylpyridine
CID 123542608
5-(2-methylsulfinylpyrimidin-4-yl)pyrazolo[1,5-a]pyrimidine
CID 169291422
5-(2-phenylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine
CID 167839083

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine (CID 118437879) is 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is Fc1cc(F)c(F)c(-c2ncccc2-c2ccn3nccc3n2)c1.
What is the InChIKey of 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is AYUHRCDACUVWIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N4/c18-10-8-12(16(20)13(19)9-10)17-11(2-1-5-21-17)14-4-7-24-15(23-14)3-6-22-24/h1-9H.
What are the key properties of 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine?
5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 326.28 g/mol, XLogP of 3.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3,5-trifluorophenyl)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 118437879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).