3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide

C12H10BrCl2N3O — CID 19561665

IUPAC3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10BrCl2N3O/c13-8-6-16-18(7-8)4-3-12(19)17-9-1-2-10(14)11(15)5-9/h1-2,5-7H,3-4H2,(H,17,19)
InChIKeyWTFJZVWYURNJLJ-UHFFFAOYSA-N
MW363.04 g/mol
LogP3.98
Rot. Bonds4

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

3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide (PubChem CID 19561665) has the molecular formula C12H10BrCl2N3O and a molecular weight of 363.04 g/mol. Its IUPAC name is 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
PubChem CID19561665
Molecular FormulaC12H10BrCl2N3O
Molecular Weight363.04 g/mol
Exact Mass360.94
IUPAC Name3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
SMILESO=C(CCn1cc(Br)cn1)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C12H10BrCl2N3O/c13-8-6-16-18(7-8)4-3-12(19)17-9-1-2-10(14)11(15)5-9/h1-2,5-7H,3-4H2,(H,17,19)
InChIKeyWTFJZVWYURNJLJ-UHFFFAOYSA-N
XLogP3.98
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.04
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-4-chlorophenyl)-3-(4-bromopyrazol-1-yl)propanamide
CID 54909881
1-[3-(3,4-dichloroanilino)-3-oxopropyl]pyrazole-4-carboxylic acid
CID 19482906
3-(4-bromopyrazol-1-yl)-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19395555
3-(4-bromo-3-methylpyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide
CID 19561959
3-(4-bromopyrazol-1-yl)-N-[4-(diethylamino)phenyl]propanamide
CID 19561643
3-[4-[(3,4-dichlorophenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19471125
N-(3-amino-4-chlorophenyl)-3-(4-methylpyrazol-1-yl)propanamide
CID 60873846
2-(4-bromopyrazol-1-yl)-N-(4-chloro-3-nitrophenyl)acetamide
CID 47350216
3-(4-bromopyrazol-1-yl)-N-[3-(pyrazol-1-ylmethyl)phenyl]propanamide
CID 19561765
3-(4-bromopyrazol-1-yl)-N-(2-hydroxyphenyl)propanamide
CID 19561636
3-(4-bromopyrazol-1-yl)-N-(4-methyl-2-pyridinyl)propanamide
CID 1231856
N-(4-amino-2-chlorophenyl)-4-(4-bromopyrazol-1-yl)butanamide
CID 61035006

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
The IUPAC name of 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide (CID 19561665) is 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide is O=C(CCn1cc(Br)cn1)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
The InChIKey is WTFJZVWYURNJLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrCl2N3O/c13-8-6-16-18(7-8)4-3-12(19)17-9-1-2-10(14)11(15)5-9/h1-2,5-7H,3-4H2,(H,17,19).
What are the key properties of 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide?
3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide has a molecular weight of 363.04 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromopyrazol-1-yl)-N-(3,4-dichlorophenyl)propanamide is sourced from PubChem (CID 19561665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).