7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

C14H8F5N3 — CID 141127549

IUPAC7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccnn12
InChIInChI=1S/C14H8F5N3/c15-13(16)11-7-10(21-12-5-6-20-22(11)12)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H
InChIKeyCZALGOIBKYDUHQ-UHFFFAOYSA-N
MW313.23 g/mol
LogP4.35
Rot. Bonds2

About 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine

7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (PubChem CID 141127549) has the molecular formula C14H8F5N3 and a molecular weight of 313.23 g/mol. Its IUPAC name is 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
PubChem CID141127549
Molecular FormulaC14H8F5N3
Molecular Weight313.23 g/mol
Exact Mass313.06
IUPAC Name7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
SMILESFC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccnn12
InChIInChI=1S/C14H8F5N3/c15-13(16)11-7-10(21-12-5-6-20-22(11)12)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H
InChIKeyCZALGOIBKYDUHQ-UHFFFAOYSA-N
XLogP4.35
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.23
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-chloro-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 86608000
5-(3,4-dichlorophenyl)-7-(difluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 4767452
2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl-trimethylsilane
CID 67000647
3-[5-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 154162929
7-(difluoromethyl)-5-(4-methylphenyl)-N-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 995525
5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-2-yl]ethynyl]thiophene-2-sulfonamide
CID 154109023
7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
formic acid;5-methyl-7-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine
CID 142599993
4-(difluoromethyl)-2-iodo-6-[4-(trifluoromethyl)phenyl]pyrimidine
CID 57468610
5-pyridin-4-yl-N-(2,2,2-trifluoroethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 56894950
5-[2-[7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]ethynyl]-2-methylbenzenesulfonamide
CID 11851716
5-(4-chlorophenyl)-7-(difluoromethyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 4773292

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine (CID 141127549) is 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is FC(F)c1cc(-c2ccc(C(F)(F)F)cc2)nc2ccnn12.
What is the InChIKey of 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
The InChIKey is CZALGOIBKYDUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3/c15-13(16)11-7-10(21-12-5-6-20-22(11)12)8-1-3-9(4-2-8)14(17,18)19/h1-7,13H.
What are the key properties of 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine?
7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine has a molecular weight of 313.23 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(difluoromethyl)-5-[4-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 141127549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).