3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide

C13H12BrCl2N3O — CID 19561959

IUPAC3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C13H12BrCl2N3O/c1-8-10(14)7-19(18-8)5-4-13(20)17-9-2-3-11(15)12(16)6-9/h2-3,6-7H,4-5H2,1H3,(H,17,20)
InChIKeyHCDJKSLHTISTSJ-UHFFFAOYSA-N
MW377.07 g/mol
LogP4.29
Rot. Bonds4

About 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide

3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide (PubChem CID 19561959) has the molecular formula C13H12BrCl2N3O and a molecular weight of 377.07 g/mol. Its IUPAC name is 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
PubChem CID19561959
Molecular FormulaC13H12BrCl2N3O
Molecular Weight377.07 g/mol
Exact Mass374.95
IUPAC Name3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
SMILESCc1nn(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br
InChIInChI=1S/C13H12BrCl2N3O/c1-8-10(14)7-19(18-8)5-4-13(20)17-9-2-3-11(15)12(16)6-9/h2-3,6-7H,4-5H2,1H3,(H,17,20)
InChIKeyHCDJKSLHTISTSJ-UHFFFAOYSA-N
XLogP4.29
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.07
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-(piperidin-1-ylmethyl)phenyl]propanamide
CID 19565638
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561665
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(4-chloropyrazol-1-yl)methyl]phenyl]propanamide
CID 19565652
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565700
3-(4-bromo-3-methylpyrazol-1-yl)-N-[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]propanamide
CID 19565653
3-(4-chloro-3-methylpyrazol-1-yl)-N-phenylpropanamide
CID 19544009
3-(4-bromo-3-methylpyrazol-1-yl)-N-[4-chloro-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]propanamide
CID 19565666
3-(4-bromo-3-methylpyrazol-1-yl)-N-(4-chloro-2-nitrophenyl)propanamide
CID 19561988
4-[3-(4-chloro-3-methylpyrazol-1-yl)propanoylamino]benzoic acid
CID 19584106
N-(3-chloro-4-fluorophenyl)-3-(3-methylpyrazol-1-yl)propanamide
CID 46339411
3-(4-bromo-3-methylpyrazol-1-yl)-N-[1-[(2-chloro-4-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]propanamide
CID 19565703
1-[3-(3,4-dichloroanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482906

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide (CID 19561959) is 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide is Cc1nn(CCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1Br.
What is the InChIKey of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is HCDJKSLHTISTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrCl2N3O/c1-8-10(14)7-19(18-8)5-4-13(20)17-9-2-3-11(15)12(16)6-9/h2-3,6-7H,4-5H2,1H3,(H,17,20).
What are the key properties of 3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 377.07 g/mol, XLogP of 4.29, 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-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 19561959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).