2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide

C16H22BrF3N4O — CID 4770618

IUPAC2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(C)CC1)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C16H22BrF3N4O/c1-9(15(25)21-11-5-7-23(2)8-6-11)24-13(10-3-4-10)12(17)14(22-24)16(18,19)20/h9-11H,3-8H2,1-2H3,(H,21,25)
InChIKeyZJIGYCMLBNZZJH-UHFFFAOYSA-N
MW423.28 g/mol
LogP3.31
Rot. Bonds4

About 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide

2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (PubChem CID 4770618) has the molecular formula C16H22BrF3N4O and a molecular weight of 423.28 g/mol. Its IUPAC name is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
PubChem CID4770618
Molecular FormulaC16H22BrF3N4O
Molecular Weight423.28 g/mol
Exact Mass422.09
IUPAC Name2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
SMILESCC(C(=O)NC1CCN(C)CC1)n1nc(C(F)(F)F)c(Br)c1C1CC1
InChIInChI=1S/C16H22BrF3N4O/c1-9(15(25)21-11-5-7-23(2)8-6-11)24-13(10-3-4-10)12(17)14(22-24)16(18,19)20/h9-11H,3-8H2,1-2H3,(H,21,25)
InChIKeyZJIGYCMLBNZZJH-UHFFFAOYSA-N
XLogP3.31
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.28
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide 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-[5-cyclopropyl-3-(difluoromethyl)-1H-pyrazol-1-yl]-N-[2-(dimethylamino)ethyl]acetamide
CID 891733
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide
CID 4770913
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-morpholin-4-ylethanone
CID 35294126
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 35294393
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-propylpiperazin-1-yl)ethanone
CID 35294398
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(4-ethylpiperazin-1-yl)ethanone
CID 35294404
1-{[4-bromo-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]acetyl}-2-methylpiperidine
CID 2861566
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16673271
N-[(1-propan-2-ylpiperidin-3-yl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16673279
2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-[(2S)-3,3-dimethylbutan-2-yl]acetamide
CID 51390307
(6S)-4-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-6-methylpiperazin-2-one
CID 164632548
2-[4-Bromo-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-cyclohexylacetamide
CID 4769408

Frequently Asked Questions

What is the IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The IUPAC name of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide (CID 4770618) is 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide.
What is the SMILES notation for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The canonical SMILES for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is CC(C(=O)NC1CCN(C)CC1)n1nc(C(F)(F)F)c(Br)c1C1CC1.
What is the InChIKey of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
The InChIKey is ZJIGYCMLBNZZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrF3N4O/c1-9(15(25)21-11-5-7-23(2)8-6-11)24-13(10-3-4-10)12(17)14(22-24)16(18,19)20/h9-11H,3-8H2,1-2H3,(H,21,25).
What are the key properties of 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide?
2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide has a molecular weight of 423.28 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-bromo-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1-methylpiperidin-4-yl)propanamide is sourced from PubChem (CID 4770618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).