2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide

C20H21BrF3N5O — CID 19551439

IUPAC2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C)n1cc(Br)cn1
InChIInChI=1S/C20H21BrF3N5O/c1-4-17(29-11-16(21)9-25-29)19(30)26-18-12(2)27-28(13(18)3)10-14-6-5-7-15(8-14)20(22,23)24/h5-9,11,17H,4,10H2,1-3H3,(H,26,30)
InChIKeyOKHNDOSXWDSWCT-UHFFFAOYSA-N
MW484.32 g/mol
LogP5.12
Rot. Bonds6

About 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide

2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide (PubChem CID 19551439) has the molecular formula C20H21BrF3N5O and a molecular weight of 484.32 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide
PubChem CID19551439
Molecular FormulaC20H21BrF3N5O
Molecular Weight484.32 g/mol
Exact Mass483.09
IUPAC Name2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide
SMILESCCC(C(=O)Nc1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C)n1cc(Br)cn1
InChIInChI=1S/C20H21BrF3N5O/c1-4-17(29-11-16(21)9-25-29)19(30)26-18-12(2)27-28(13(18)3)10-14-6-5-7-15(8-14)20(22,23)24/h5-9,11,17H,4,10H2,1-3H3,(H,26,30)
InChIKeyOKHNDOSXWDSWCT-UHFFFAOYSA-N
XLogP5.12
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.32
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide 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-bromopyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]butanamide
CID 19551446
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551746
2-(4-bromopyrazol-1-yl)-N-[5-methyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-3-yl]butanamide
CID 19392847
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]butanamide
CID 19338080
3-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]propanamide
CID 19561838
2-(4-bromopyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19405897
N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19405923
N-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-(4-nitropyrazol-1-yl)butanamide
CID 19551684
N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-2-methylpyrazole-3-carboxamide
CID 19475694
2-(4-bromopyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19411981
2-(4-bromopyrazol-1-yl)-N-[1-[(3-methylphenyl)methyl]-1,2,4-triazol-3-yl]butanamide
CID 19551422
1-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-3-methylthiourea
CID 19344472

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide (CID 19551439) is 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide is CCC(C(=O)Nc1c(C)nn(Cc2cccc(C(F)(F)F)c2)c1C)n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide?
The InChIKey is OKHNDOSXWDSWCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21BrF3N5O/c1-4-17(29-11-16(21)9-25-29)19(30)26-18-12(2)27-28(13(18)3)10-14-6-5-7-15(8-14)20(22,23)24/h5-9,11,17H,4,10H2,1-3H3,(H,26,30).
What are the key properties of 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide?
2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide has a molecular weight of 484.32 g/mol, XLogP of 5.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-N-[3,5-dimethyl-1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 19551439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).