5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

C18H12F3N3O — CID 976637

IUPAC5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccccc1
InChIInChI=1S/C18H12F3N3O/c1-11-16(12-6-3-2-4-7-12)17-22-13(14-8-5-9-25-14)10-15(18(19,20)21)24(17)23-11/h2-10H,1H3
InChIKeyLKCZLMZIVXEWMA-UHFFFAOYSA-N
MW343.31 g/mol
LogP4.98
Rot. Bonds2

About 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine

5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (PubChem CID 976637) has the molecular formula C18H12F3N3O and a molecular weight of 343.31 g/mol. Its IUPAC name is 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Name5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
PubChem CID976637
Molecular FormulaC18H12F3N3O
Molecular Weight343.31 g/mol
Exact Mass343.09
IUPAC Name5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
SMILESCc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccccc1
InChIInChI=1S/C18H12F3N3O/c1-11-16(12-6-3-2-4-7-12)17-22-13(14-8-5-9-25-14)10-15(18(19,20)21)24(17)23-11/h2-10H,1H3
InChIKeyLKCZLMZIVXEWMA-UHFFFAOYSA-N
XLogP4.98
TPSA43.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.31
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The IUPAC name of 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine (CID 976637) is 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The canonical SMILES for 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is Cc1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1-c1ccccc1.
What is the InChIKey of 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
The InChIKey is LKCZLMZIVXEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F3N3O/c1-11-16(12-6-3-2-4-7-12)17-22-13(14-8-5-9-25-14)10-15(18(19,20)21)24(17)23-11/h2-10H,1H3.
What are the key properties of 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine?
5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine has a molecular weight of 343.31 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2-methyl-3-phenyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 976637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).