3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

C15H11F4N3O — CID 158123234

IUPAC3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C15H11F4N3O/c1-9(16)12-8-20-22-7-6-13(21-14(12)22)10-2-4-11(5-3-10)23-15(17,18)19/h2-9H,1H3
InChIKeyTYARLOKYOKYOMG-UHFFFAOYSA-N
MW325.27 g/mol
LogP4.33
Rot. Bonds3

About 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine

3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 158123234) has the molecular formula C15H11F4N3O and a molecular weight of 325.27 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID158123234
Molecular FormulaC15H11F4N3O
Molecular Weight325.27 g/mol
Exact Mass325.08
IUPAC Name3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C15H11F4N3O/c1-9(16)12-8-20-22-7-6-13(21-14(12)22)10-2-4-11(5-3-10)23-15(17,18)19/h2-9H,1H3
InChIKeyTYARLOKYOKYOMG-UHFFFAOYSA-N
XLogP4.33
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.27
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 142362630
8-iodo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,5-a]pyrimidine
CID 155338075
1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]ethane-1,2-diamine
CID 69009384
1-[5-methyl-1-[4-(trifluoromethoxy)phenyl]pyrazol-4-yl]ethanol
CID 66489417
3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 154613023
8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 115404958
5-(4-methoxyphenyl)-3-phenyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 123855577
ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 142362542
1-[3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,2-bis(3,4,5-trimethoxyphenyl)-2-[3-(3,4,5-trimethoxyphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]hydrazine
CID 90933201
3-(methylsulfonylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 142412875
3-(methylsulfinylmethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 154613015
3-nitro-6-[4-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 135353115

Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 158123234) is 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is CC(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is TYARLOKYOKYOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F4N3O/c1-9(16)12-8-20-22-7-6-13(21-14(12)22)10-2-4-11(5-3-10)23-15(17,18)19/h2-9H,1H3.
What are the key properties of 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 325.27 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 158123234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).