6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

C14H8BrF3N4O — CID 2978702

IUPAC6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnn2cc(Br)cnc12
InChIInChI=1S/C14H8BrF3N4O/c15-9-5-19-12-11(6-20-22(12)7-9)13(23)21-10-3-1-2-8(4-10)14(16,17)18/h1-7H,(H,21,23)
InChIKeyXXMLRPWRWJBKRV-UHFFFAOYSA-N
MW385.14 g/mol
LogP3.76
Rot. Bonds2

About 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 2978702) has the molecular formula C14H8BrF3N4O and a molecular weight of 385.14 g/mol. Its IUPAC name is 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID2978702
Molecular FormulaC14H8BrF3N4O
Molecular Weight385.14 g/mol
Exact Mass383.98
IUPAC Name6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cnn2cc(Br)cnc12
InChIInChI=1S/C14H8BrF3N4O/c15-9-5-19-12-11(6-20-22(12)7-9)13(23)21-10-3-1-2-8(4-10)14(16,17)18/h1-7H,(H,21,23)
InChIKeyXXMLRPWRWJBKRV-UHFFFAOYSA-N
XLogP3.76
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.14
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(trifluoromethyl)phenyl]-2,3,7-triazatricyclo[7.5.0.02,6]tetradeca-1(9),3,5,7-tetraene-5-carboxamide
CID 20919301
5,7-bis(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2821142
N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414620
6-phenyl-N-[3-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 16659692
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
6-bromo-N-(1-propylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 17060258
6-bromo-N-(5-methyl-1,2-oxazol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2984752
2-(4-pyridin-4-ylpyrazol-1-yl)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 71694646
5-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]-1H-pyrazole-4-carboxamide
CID 47801183
4-methyl-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860828
2-hydroxy-4-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 154341283
2-methoxy-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 110860867

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 2978702) is 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2cc(Br)cnc12.
What is the InChIKey of 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is XXMLRPWRWJBKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF3N4O/c15-9-5-19-12-11(6-20-22(12)7-9)13(23)21-10-3-1-2-8(4-10)14(16,17)18/h1-7H,(H,21,23).
What are the key properties of 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 385.14 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 2978702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).