7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

C21H15F4N5O — CID 155564325

IUPAC7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccnc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C21H15F4N5O/c22-14-4-2-13(3-5-14)17-11-16(20(26)31)28-19-10-15(29-30(17)19)6-1-12-7-8-27-18(9-12)21(23,24)25/h2-5,7-11H,1,6H2,(H2,26,31)
InChIKeyBHWJLGWNJPUSLD-UHFFFAOYSA-N
MW429.38 g/mol
LogP3.83
Rot. Bonds5

About 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide

7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 155564325) has the molecular formula C21H15F4N5O and a molecular weight of 429.38 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID155564325
Molecular FormulaC21H15F4N5O
Molecular Weight429.38 g/mol
Exact Mass429.12
IUPAC Name7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccnc(C(F)(F)F)c3)cc2n1
InChIInChI=1S/C21H15F4N5O/c22-14-4-2-13(3-5-14)17-11-16(20(26)31)28-19-10-15(29-30(17)19)6-1-12-7-8-27-18(9-12)21(23,24)25/h2-5,7-11H,1,6H2,(H2,26,31)
InChIKeyBHWJLGWNJPUSLD-UHFFFAOYSA-N
XLogP3.83
TPSA86.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 155564325) is 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)n2nc(CCc3ccnc(C(F)(F)F)c3)cc2n1.
What is the InChIKey of 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is BHWJLGWNJPUSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F4N5O/c22-14-4-2-13(3-5-14)17-11-16(20(26)31)28-19-10-15(29-30(17)19)6-1-12-7-8-27-18(9-12)21(23,24)25/h2-5,7-11H,1,6H2,(H2,26,31).
What are the key properties of 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide?
7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 429.38 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-fluorophenyl)-2-[2-[2-(trifluoromethyl)-4-pyridinyl]ethyl]pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 155564325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).