3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

C18H16BrF3N4O2 — CID 1036749

IUPAC3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br
InChIInChI=1S/C18H16BrF3N4O2/c19-14-15(17(27)23-10-5-2-1-3-6-10)25-26-13(18(20,21)22)9-11(24-16(14)26)12-7-4-8-28-12/h4,7-10H,1-3,5-6H2,(H,23,27)
InChIKeyCTXXXHCJUJZTKC-UHFFFAOYSA-N
MW457.25 g/mol
LogP4.83
Rot. Bonds3

About 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide

3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (PubChem CID 1036749) has the molecular formula C18H16BrF3N4O2 and a molecular weight of 457.25 g/mol. Its IUPAC name is 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.

Molecular Properties

Compound Name3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
PubChem CID1036749
Molecular FormulaC18H16BrF3N4O2
Molecular Weight457.25 g/mol
Exact Mass456.04
IUPAC Name3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
SMILESO=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br
InChIInChI=1S/C18H16BrF3N4O2/c19-14-15(17(27)23-10-5-2-1-3-6-10)25-26-13(18(20,21)22)9-11(24-16(14)26)12-7-4-8-28-12/h4,7-10H,1-3,5-6H2,(H,23,27)
InChIKeyCTXXXHCJUJZTKC-UHFFFAOYSA-N
XLogP4.83
TPSA72.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.25
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The IUPAC name of 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide (CID 1036749) is 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide.
What is the SMILES notation for 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The canonical SMILES for 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is O=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br.
What is the InChIKey of 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
The InChIKey is CTXXXHCJUJZTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrF3N4O2/c19-14-15(17(27)23-10-5-2-1-3-6-10)25-26-13(18(20,21)22)9-11(24-16(14)26)12-7-4-8-28-12/h4,7-10H,1-3,5-6H2,(H,23,27).
What are the key properties of 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide?
3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide has a molecular weight of 457.25 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-cyclohexyl-5-(furan-2-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide is sourced from PubChem (CID 1036749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).