3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide

C15H16BrClFN3O — CID 4865030

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1Br
InChIInChI=1S/C15H16BrClFN3O/c1-8(7-21-10(3)14(16)9(2)20-21)15(22)19-11-4-5-13(18)12(17)6-11/h4-6,8H,7H2,1-3H3,(H,19,22)
InChIKeyDMNFBICSSWEMEU-UHFFFAOYSA-N
MW388.67 g/mol
LogP4.33
Rot. Bonds4

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide (PubChem CID 4865030) has the molecular formula C15H16BrClFN3O and a molecular weight of 388.67 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide
PubChem CID4865030
Molecular FormulaC15H16BrClFN3O
Molecular Weight388.67 g/mol
Exact Mass387.01
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide
SMILESCc1nn(CC(C)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1Br
InChIInChI=1S/C15H16BrClFN3O/c1-8(7-21-10(3)14(16)9(2)20-21)15(22)19-11-4-5-13(18)12(17)6-11/h4-6,8H,7H2,1-3H3,(H,19,22)
InChIKeyDMNFBICSSWEMEU-UHFFFAOYSA-N
XLogP4.33
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.67
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-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

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(4-fluoro-3-nitrophenyl)-2-methylpropanamide
CID 4867259
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-chloro-2-methylphenyl)-2-methylpropanamide
CID 19564210
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]-2-methylpropanamide
CID 19564336
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-(diethylamino)phenyl]-2-methylpropanamide
CID 19564213
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-2-methylpropanamide
CID 19564218
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(5-fluoro-2-methylphenyl)-2-methylpropanamide
CID 4865310
(2S)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N,2-dimethylpropanamide
CID 39854755
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(4-chlorophenyl)methyl]-1,2,4-triazol-3-yl]-2-methylpropanamide
CID 19564400
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(2,4-dichlorophenoxy)-5-nitrophenyl]-2-methylpropanamide
CID 19564331
N-(3-chloro-4-fluorophenyl)-3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]propanamide
CID 9077447
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19564335
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19564238

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide (CID 4865030) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide is Cc1nn(CC(C)C(=O)Nc2ccc(F)c(Cl)c2)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide?
The InChIKey is DMNFBICSSWEMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrClFN3O/c1-8(7-21-10(3)14(16)9(2)20-21)15(22)19-11-4-5-13(18)12(17)6-11/h4-6,8H,7H2,1-3H3,(H,19,22).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide has a molecular weight of 388.67 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(3-chloro-4-fluorophenyl)-2-methylpropanamide is sourced from PubChem (CID 4865030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).