4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

C12H12Br2F3N5O — CID 19278241

IUPAC4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1nn(C)c(C(F)(F)F)c1Br
InChIInChI=1S/C12H12Br2F3N5O/c1-20(5-7-6(13)4-18-21(7)2)11(23)9-8(14)10(12(15,16)17)22(3)19-9/h4H,5H2,1-3H3
InChIKeyGVPUJRUHNAZBGL-UHFFFAOYSA-N
MW459.06 g/mol
LogP2.97
Rot. Bonds3

About 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide

4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19278241) has the molecular formula C12H12Br2F3N5O and a molecular weight of 459.06 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19278241
Molecular FormulaC12H12Br2F3N5O
Molecular Weight459.06 g/mol
Exact Mass456.94
IUPAC Name4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCN(Cc1c(Br)cnn1C)C(=O)c1nn(C)c(C(F)(F)F)c1Br
InChIInChI=1S/C12H12Br2F3N5O/c1-20(5-7-6(13)4-18-21(7)2)11(23)9-8(14)10(12(15,16)17)22(3)19-9/h4H,5H2,1-3H3
InChIKeyGVPUJRUHNAZBGL-UHFFFAOYSA-N
XLogP2.97
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.06
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19278241) is 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CN(Cc1c(Br)cnn1C)C(=O)c1nn(C)c(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is GVPUJRUHNAZBGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2F3N5O/c1-20(5-7-6(13)4-18-21(7)2)11(23)9-8(14)10(12(15,16)17)22(3)19-9/h4H,5H2,1-3H3.
What are the key properties of 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 459.06 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19278241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).