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

C35H33F10N5O2 — CID 142362628

IUPAC3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.CC.CC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C16H11F5N2O.C15H10F5N3O.2C2H6/c1-15(17,18)13-9-22-23-7-6-11(8-14(13)23)10-2-4-12(5-3-10)24-16(19,20)21;1-14(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;2*1-2/h2-9H,1H3;2-8H,1H3;2*1-2H3
InChIKeyYHAYDSQWSMYKHS-UHFFFAOYSA-N
MW745.66 g/mol
LogP11.47
Rot. Bonds6

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

3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane (PubChem CID 142362628) has the molecular formula C35H33F10N5O2 and a molecular weight of 745.66 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane
PubChem CID142362628
Molecular FormulaC35H33F10N5O2
Molecular Weight745.66 g/mol
Exact Mass745.25
IUPAC Name3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane
SMILESCC.CC.CC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.CC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)nc12
InChIInChI=1S/C16H11F5N2O.C15H10F5N3O.2C2H6/c1-15(17,18)13-9-22-23-7-6-11(8-14(13)23)10-2-4-12(5-3-10)24-16(19,20)21;1-14(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;2*1-2/h2-9H,1H3;2-8H,1H3;2*1-2H3
InChIKeyYHAYDSQWSMYKHS-UHFFFAOYSA-N
XLogP11.47
TPSA65.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500745.66
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane with MolForge

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Related Compounds

4-[6-[4-(1-Methylethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 50997747
Methyl substituted pyrazole, 27
CID 23648674
6-(4-Methoxyphenyl)-3-pyridin-4-ylpyrazolo[1,5-a]pyrimidine
CID 5329457
6-(4-Methoxyphenyl)-3-(pyridin-3-yl)pyrazolo[1,5-a]pyrimidine
CID 5329458
Pyrazolo[1,5-b]pyridazine deriv. 43
CID 6539385
Pyrazolo[1,5-b]pyridazine deriv. 69
CID 6539411
Pyrazolo[1,5-b]pyridazine deriv. 70
CID 6539412
Methyl substituted pyrazole, 28
CID 23648676
ML347
CID 44577753
4-(2-(4-(3-(Quinolin-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenoxy)ethyl)morpholine
CID 50997748
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
4-[6-(4-Methoxyphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 44223357

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane?
The IUPAC name of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane (CID 142362628) is 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane.
What is the SMILES notation for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane?
The canonical SMILES for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane is CC.CC.CC(F)(F)c1cnn2ccc(-c3ccc(OC(F)(F)F)cc3)cc12.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]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane?
The InChIKey is YHAYDSQWSMYKHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F5N2O.C15H10F5N3O.2C2H6/c1-15(17,18)13-9-22-23-7-6-11(8-14(13)23)10-2-4-12(5-3-10)24-16(19,20)21;1-14(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;2*1-2/h2-9H,1H3;2-8H,1H3;2*1-2H3.
What are the key properties of 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane?
3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane has a molecular weight of 745.66 g/mol, XLogP of 11.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyridine;3-(1,1-difluoroethyl)-5-[4-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidine;ethane is sourced from PubChem (CID 142362628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).