5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide

C18H15BrF3N3O — CID 146198691

IUPAC5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12
InChIInChI=1S/C18H15BrF3N3O/c1-24(2)17(26)16-14-9-13(19)7-8-15(14)25(23-16)10-11-3-5-12(6-4-11)18(20,21)22/h3-9H,10H2,1-2H3
InChIKeyVKXGMFVZQPNREC-UHFFFAOYSA-N
MW426.24 g/mol
LogP4.57
Rot. Bonds3

About 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide

5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide (PubChem CID 146198691) has the molecular formula C18H15BrF3N3O and a molecular weight of 426.24 g/mol. Its IUPAC name is 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
PubChem CID146198691
Molecular FormulaC18H15BrF3N3O
Molecular Weight426.24 g/mol
Exact Mass425.04
IUPAC Name5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
SMILESCN(C)C(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12
InChIInChI=1S/C18H15BrF3N3O/c1-24(2)17(26)16-14-9-13(19)7-8-15(14)25(23-16)10-11-3-5-12(6-4-11)18(20,21)22/h3-9H,10H2,1-2H3
InChIKeyVKXGMFVZQPNREC-UHFFFAOYSA-N
XLogP4.57
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.24
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide?
The IUPAC name of 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide (CID 146198691) is 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide?
The canonical SMILES for 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide is CN(C)C(=O)c1nn(Cc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide?
The InChIKey is VKXGMFVZQPNREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrF3N3O/c1-24(2)17(26)16-14-9-13(19)7-8-15(14)25(23-16)10-11-3-5-12(6-4-11)18(20,21)22/h3-9H,10H2,1-2H3.
What are the key properties of 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide?
5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide has a molecular weight of 426.24 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,N-dimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 146198691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).