2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide

C15H19BrF3N5O — CID 4770263

IUPAC2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1cc(CN(C)C(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)cn1
InChIInChI=1S/C15H19BrF3N5O/c1-5-23-8-11(6-20-23)7-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6,8,10H,5,7H2,1-4H3
InChIKeyLOXKIAJKLAOFCW-UHFFFAOYSA-N
MW422.25 g/mol
LogP3.41
Rot. Bonds5

About 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide

2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide (PubChem CID 4770263) has the molecular formula C15H19BrF3N5O and a molecular weight of 422.25 g/mol. Its IUPAC name is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide
PubChem CID4770263
Molecular FormulaC15H19BrF3N5O
Molecular Weight422.25 g/mol
Exact Mass421.07
IUPAC Name2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide
SMILESCCn1cc(CN(C)C(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)cn1
InChIInChI=1S/C15H19BrF3N5O/c1-5-23-8-11(6-20-23)7-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6,8,10H,5,7H2,1-4H3
InChIKeyLOXKIAJKLAOFCW-UHFFFAOYSA-N
XLogP3.41
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.25
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-1-(4-methyl-1H-pyrazol-1-yl)ethanone
CID 4770341
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4769927
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4770828
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4771290
3-(4-Bromo-3,5-dimethyl-1H-pyrazol-1-YL)-1-{4-[(1,5-dimethyl-1H-pyrazol-4-YL)methyl]piperazino}-1-propanone
CID 19575420
2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 56781749
3-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1,5-dimethylpyrazol-4-yl)methyl]-N-methylpropanamide
CID 1000446
2-(4-bromo-5-methyl-1H-pyrazol-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4769280
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4769562
2-(4-bromo-3-methyl-1H-pyrazol-1-yl)-N-[(1,5-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4769622
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770455
2-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methylacetamide
CID 4770780

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The IUPAC name of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide (CID 4770263) is 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide.
What is the SMILES notation for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The canonical SMILES for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide is CCn1cc(CN(C)C(=O)C(C)n2nc(C(F)(F)F)c(Br)c2C)cn1.
What is the InChIKey of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
The InChIKey is LOXKIAJKLAOFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrF3N5O/c1-5-23-8-11(6-20-23)7-22(4)14(25)10(3)24-9(2)12(16)13(21-24)15(17,18)19/h6,8,10H,5,7H2,1-4H3.
What are the key properties of 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide?
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide has a molecular weight of 422.25 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(1-ethylpyrazol-4-yl)methyl]-N-methylpropanamide is sourced from PubChem (CID 4770263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).