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

C13H14Br2F3N5O — CID 19278242

IUPAC4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1nn(C)c(C(F)(F)F)c1Br
InChIInChI=1S/C13H14Br2F3N5O/c1-4-23-8(7(14)5-19-23)6-21(2)12(24)10-9(15)11(13(16,17)18)22(3)20-10/h5H,4,6H2,1-3H3
InChIKeyKZKIDIGHTFHUIE-UHFFFAOYSA-N
MW473.09 g/mol
LogP3.45
Rot. Bonds4

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

4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19278242) has the molecular formula C13H14Br2F3N5O and a molecular weight of 473.09 g/mol. Its IUPAC name is 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19278242
Molecular FormulaC13H14Br2F3N5O
Molecular Weight473.09 g/mol
Exact Mass470.95
IUPAC Name4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1ncc(Br)c1CN(C)C(=O)c1nn(C)c(C(F)(F)F)c1Br
InChIInChI=1S/C13H14Br2F3N5O/c1-4-23-8(7(14)5-19-23)6-21(2)12(24)10-9(15)11(13(16,17)18)22(3)20-10/h5H,4,6H2,1-3H3
InChIKeyKZKIDIGHTFHUIE-UHFFFAOYSA-N
XLogP3.45
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.09
LogP ≤ 53.45
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-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19278242) is 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCn1ncc(Br)c1CN(C)C(=O)c1nn(C)c(C(F)(F)F)c1Br.
What is the InChIKey of 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is KZKIDIGHTFHUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Br2F3N5O/c1-4-23-8(7(14)5-19-23)6-21(2)12(24)10-9(15)11(13(16,17)18)22(3)20-10/h5H,4,6H2,1-3H3.
What are the key properties of 4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-[(4-bromo-1-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 473.09 g/mol, XLogP of 3.45, 4 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-ethylpyrazol-5-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19278242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).