5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C18H11BrF3N5O2 — CID 1220660

IUPAC5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc23)no1
InChIInChI=1S/C18H11BrF3N5O2/c1-9-6-15(26-29-9)25-17(28)12-8-23-27-14(18(20,21)22)7-13(24-16(12)27)10-2-4-11(19)5-3-10/h2-8H,1H3,(H,25,26,28)
InChIKeyPRXIQWQEYBOFDU-UHFFFAOYSA-N
MW466.22 g/mol
LogP4.73
Rot. Bonds3

About 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1220660) has the molecular formula C18H11BrF3N5O2 and a molecular weight of 466.22 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1220660
Molecular FormulaC18H11BrF3N5O2
Molecular Weight466.22 g/mol
Exact Mass465.00
IUPAC Name5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc23)no1
InChIInChI=1S/C18H11BrF3N5O2/c1-9-6-15(26-29-9)25-17(28)12-8-23-27-14(18(20,21)22)7-13(24-16(12)27)10-2-4-11(19)5-3-10/h2-8H,1H3,(H,25,26,28)
InChIKeyPRXIQWQEYBOFDU-UHFFFAOYSA-N
XLogP4.73
TPSA85.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.22
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1220660) is 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1cc(NC(=O)c2cnn3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc23)no1.
What is the InChIKey of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is PRXIQWQEYBOFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11BrF3N5O2/c1-9-6-15(26-29-9)25-17(28)12-8-23-27-14(18(20,21)22)7-13(24-16(12)27)10-2-4-11(19)5-3-10/h2-8H,1H3,(H,25,26,28).
What are the key properties of 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 466.22 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1220660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).