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

C15H10F5N3O — CID 142362630

IUPAC3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C15H10F5N3O/c1-14(16,17)11-8-21-23-7-6-12(22-13(11)23)9-2-4-10(5-3-9)24-15(18,19)20/h2-8H,1H3
InChIKeyBTQMYXXSPYSULL-UHFFFAOYSA-N
MW343.26 g/mol
LogP4.41
Rot. Bonds3

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

3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 142362630) has the molecular formula C15H10F5N3O and a molecular weight of 343.26 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID142362630
Molecular FormulaC15H10F5N3O
Molecular Weight343.26 g/mol
Exact Mass343.07
IUPAC Name3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESCC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C15H10F5N3O/c1-14(16,17)11-8-21-23-7-6-12(22-13(11)23)9-2-4-10(5-3-9)24-15(18,19)20/h2-8H,1H3
InChIKeyBTQMYXXSPYSULL-UHFFFAOYSA-N
XLogP4.41
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-fluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 158123234
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
3-(1,1-difluoroethyl)-6-[2-(methoxymethyl)-4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyrimidine;ethane;5-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 142362592
8-bromo-2-[4-(trifluoromethoxy)phenyl]imidazo[1,2-a]pyridine
CID 115404958
ethane;3-methyl-5-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyrazolo[1,5-a]pyrimidine
CID 142362542
2-ethylsulfonyl-3-[3-methyl-6-(trifluoromethyl)imidazo[4,5-c]pyridin-2-yl]-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine
CID 155738742
3-(trideuteriomethyl)-5-[4-(trifluoromethoxy)phenyl]-[1,3]oxazolo[4,5-b]pyridin-2-one
CID 154613023
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
N-(3-chlorophenyl)-3-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 59662415
2,6-bis[4-(trifluoromethoxy)phenyl]-4-(trifluoromethyl)pyridine
CID 134618302
2-methyl-4-[4-(trifluoromethoxy)phenyl]-1,3-oxazole
CID 59726235

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine (CID 142362630) is 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is CC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12.
What is the InChIKey of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is BTQMYXXSPYSULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F5N3O/c1-14(16,17)11-8-21-23-7-6-12(22-13(11)23)9-2-4-10(5-3-9)24-15(18,19)20/h2-8H,1H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine?
3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 343.26 g/mol, XLogP of 4.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 142362630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).