5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C16H12F3N7O2S — CID 156834194

IUPAC5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1cc(-c2ccn3nc(C(F)(F)F)cc3n2)cnc1-n1nccn1
InChIInChI=1S/C16H12F3N7O2S/c1-2-29(27,28)12-7-10(9-20-15(12)26-21-4-5-22-26)11-3-6-25-14(23-11)8-13(24-25)16(17,18)19/h3-9H,2H2,1H3
InChIKeyBIRZTGCDNMAPMN-UHFFFAOYSA-N
MW423.38 g/mol
LogP2.18
Rot. Bonds4

About 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 156834194) has the molecular formula C16H12F3N7O2S and a molecular weight of 423.38 g/mol. Its IUPAC name is 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID156834194
Molecular FormulaC16H12F3N7O2S
Molecular Weight423.38 g/mol
Exact Mass423.07
IUPAC Name5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCCS(=O)(=O)c1cc(-c2ccn3nc(C(F)(F)F)cc3n2)cnc1-n1nccn1
InChIInChI=1S/C16H12F3N7O2S/c1-2-29(27,28)12-7-10(9-20-15(12)26-21-4-5-22-26)11-3-6-25-14(23-11)8-13(24-25)16(17,18)19/h3-9H,2H2,1H3
InChIKeyBIRZTGCDNMAPMN-UHFFFAOYSA-N
XLogP2.18
TPSA107.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.38
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

4-(4-chlorophenyl)-2-[3-ethylsulfonyl-5-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-1,2,4-triazol-3-one
CID 156834173
5-(3-ethylsulfonyl-5-pyrimidin-5-yl-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834309
5-[3-ethylsulfonyl-5-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834187
5-ethylsulfonyl-N,N-dimethyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-3-amine
CID 156834337
5-(3-ethylsulfonyl-6-methoxy-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834252
5-(3-ethylsulfonyl-6-propan-2-yloxy-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834271
N-cyclopropyl-5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]pyridin-2-amine
CID 166171981
5-[3-ethylsulfanyl-5-(2-methylpyrazol-3-yl)-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834125
5-[3-ethylsulfanyl-5-(4-fluorophenyl)-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 156834262
5-[3-ethylsulfonyl-6-[1-(sulfinatoamino)cyclopropyl]-2-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 174225032
5-(5-bromo-3-ethylsulfonyl-2-pyridinyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine;2-[5-ethylsulfonyl-6-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-5-yl]-2-pyridinyl]-7-(trifluoromethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 174225036
2-[5-(3,5-dichlorophenyl)-3-ethylsulfonyl-2-pyridinyl]-7-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 155685460

Frequently Asked Questions

What is the IUPAC name of 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 156834194) is 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is CCS(=O)(=O)c1cc(-c2ccn3nc(C(F)(F)F)cc3n2)cnc1-n1nccn1.
What is the InChIKey of 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is BIRZTGCDNMAPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N7O2S/c1-2-29(27,28)12-7-10(9-20-15(12)26-21-4-5-22-26)11-3-6-25-14(23-11)8-13(24-25)16(17,18)19/h3-9H,2H2,1H3.
What are the key properties of 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 423.38 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-ethylsulfonyl-6-(triazol-2-yl)-3-pyridinyl]-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 156834194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).