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

C21H20BrF3N4O — CID 1111225

IUPAC5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12)C1CCCCC1
InChIInChI=1S/C21H20BrF3N4O/c1-28(15-5-3-2-4-6-15)20(30)16-12-26-29-18(21(23,24)25)11-17(27-19(16)29)13-7-9-14(22)10-8-13/h7-12,15H,2-6H2,1H3
InChIKeyBWFKANLEDZRHTN-UHFFFAOYSA-N
MW481.32 g/mol
LogP5.58
Rot. Bonds3

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

5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 1111225) has the molecular formula C21H20BrF3N4O and a molecular weight of 481.32 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID1111225
Molecular FormulaC21H20BrF3N4O
Molecular Weight481.32 g/mol
Exact Mass480.08
IUPAC Name5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCN(C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12)C1CCCCC1
InChIInChI=1S/C21H20BrF3N4O/c1-28(15-5-3-2-4-6-15)20(30)16-12-26-29-18(21(23,24)25)11-17(27-19(16)29)13-7-9-14(22)10-8-13/h7-12,15H,2-6H2,1H3
InChIKeyBWFKANLEDZRHTN-UHFFFAOYSA-N
XLogP5.58
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.32
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 1111225) is 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is CN(C(=O)c1cnn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc12)C1CCCCC1.
What is the InChIKey of 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is BWFKANLEDZRHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20BrF3N4O/c1-28(15-5-3-2-4-6-15)20(30)16-12-26-29-18(21(23,24)25)11-17(27-19(16)29)13-7-9-14(22)10-8-13/h7-12,15H,2-6H2,1H3.
What are the key properties of 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 481.32 g/mol, XLogP of 5.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-cyclohexyl-N-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 1111225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).