3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide

C14H14BrCl2N3O — CID 19559871

IUPAC3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
SMILESCc1nn(CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1Br
InChIInChI=1S/C14H14BrCl2N3O/c1-8-13(15)9(2)20(19-8)7-6-12(21)18-14-10(16)4-3-5-11(14)17/h3-5H,6-7H2,1-2H3,(H,18,21)
InChIKeyKMHRHFWUPAYAQH-UHFFFAOYSA-N
MW391.10 g/mol
LogP4.60
Rot. Bonds4

About 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide (PubChem CID 19559871) has the molecular formula C14H14BrCl2N3O and a molecular weight of 391.10 g/mol. Its IUPAC name is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
PubChem CID19559871
Molecular FormulaC14H14BrCl2N3O
Molecular Weight391.10 g/mol
Exact Mass388.97
IUPAC Name3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide
SMILESCc1nn(CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1Br
InChIInChI=1S/C14H14BrCl2N3O/c1-8-13(15)9(2)20(19-8)7-6-12(21)18-14-10(16)4-3-5-11(14)17/h3-5H,6-7H2,1-2H3,(H,18,21)
InChIKeyKMHRHFWUPAYAQH-UHFFFAOYSA-N
XLogP4.60
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.10
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-phenylpropanamide
CID 19559927
3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19337696
N-(3-amino-2-methylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 62129891
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3,4-dichlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19393020
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19404233
N-[4-bromo-1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559984
N-(4-acetylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 19559886
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[1-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]propanamide
CID 19411503
methyl 4-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanoylamino]-1,3-dimethylpyrazole-5-carboxylate
CID 95748793
N-(2,6-dichlorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 19555733
N-(2-benzoylphenyl)-3-(4-bromo-3,5-dimethylpyrazol-1-yl)propanamide
CID 35322733
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[4-chloro-1-[(3-fluorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19561511

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide (CID 19559871) is 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide is Cc1nn(CCC(=O)Nc2c(Cl)cccc2Cl)c(C)c1Br.
What is the InChIKey of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide?
The InChIKey is KMHRHFWUPAYAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrCl2N3O/c1-8-13(15)9(2)20(19-8)7-6-12(21)18-14-10(16)4-3-5-11(14)17/h3-5H,6-7H2,1-2H3,(H,18,21).
What are the key properties of 3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide?
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2,6-dichlorophenyl)propanamide has a molecular weight of 391.10 g/mol, XLogP of 4.60, 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-(2,6-dichlorophenyl)propanamide is sourced from PubChem (CID 19559871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).