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

C13H15BrF3N5O — CID 19278229

IUPAC4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2nn(C)c(C(F)(F)F)c2Br)cn1
InChIInChI=1S/C13H15BrF3N5O/c1-4-22-7-8(5-18-22)6-20(2)12(23)10-9(14)11(13(15,16)17)21(3)19-10/h5,7H,4,6H2,1-3H3
InChIKeyBZJRLLMRNCTTLY-UHFFFAOYSA-N
MW394.20 g/mol
LogP2.69
Rot. Bonds4

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

4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (PubChem CID 19278229) has the molecular formula C13H15BrF3N5O and a molecular weight of 394.20 g/mol. Its IUPAC name is 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
PubChem CID19278229
Molecular FormulaC13H15BrF3N5O
Molecular Weight394.20 g/mol
Exact Mass393.04
IUPAC Name4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide
SMILESCCn1cc(CN(C)C(=O)c2nn(C)c(C(F)(F)F)c2Br)cn1
InChIInChI=1S/C13H15BrF3N5O/c1-4-22-7-8(5-18-22)6-20(2)12(23)10-9(14)11(13(15,16)17)21(3)19-10/h5,7H,4,6H2,1-3H3
InChIKeyBZJRLLMRNCTTLY-UHFFFAOYSA-N
XLogP2.69
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.20
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide (CID 19278229) is 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is CCn1cc(CN(C)C(=O)c2nn(C)c(C(F)(F)F)c2Br)cn1.
What is the InChIKey of 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
The InChIKey is BZJRLLMRNCTTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrF3N5O/c1-4-22-7-8(5-18-22)6-20(2)12(23)10-9(14)11(13(15,16)17)21(3)19-10/h5,7H,4,6H2,1-3H3.
What are the key properties of 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide?
4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide has a molecular weight of 394.20 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[(1-ethylpyrazol-4-yl)methyl]-N,1-dimethyl-5-(trifluoromethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 19278229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).