5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide

C15H16BrCl2N3O — CID 59887678

IUPAC5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(-c2nn(C)c(CC)c2Br)c(Cl)cc1Cl
InChIInChI=1S/C15H16BrCl2N3O/c1-4-12-13(16)14(20-21(12)3)8-6-9(15(22)19-5-2)11(18)7-10(8)17/h6-7H,4-5H2,1-3H3,(H,19,22)
InChIKeyBSXHMTFRQYASIH-UHFFFAOYSA-N
MW405.12 g/mol
LogP4.47
Rot. Bonds4

About 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide

5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide (PubChem CID 59887678) has the molecular formula C15H16BrCl2N3O and a molecular weight of 405.12 g/mol. Its IUPAC name is 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide.

Molecular Properties

Compound Name5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide
PubChem CID59887678
Molecular FormulaC15H16BrCl2N3O
Molecular Weight405.12 g/mol
Exact Mass402.99
IUPAC Name5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide
SMILESCCNC(=O)c1cc(-c2nn(C)c(CC)c2Br)c(Cl)cc1Cl
InChIInChI=1S/C15H16BrCl2N3O/c1-4-12-13(16)14(20-21(12)3)8-6-9(15(22)19-5-2)11(18)7-10(8)17/h6-7H,4-5H2,1-3H3,(H,19,22)
InChIKeyBSXHMTFRQYASIH-UHFFFAOYSA-N
XLogP4.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.12
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,4-dichloro-N-ethyl-5-fluorobenzamide
CID 60664980
3-bromo-N-ethyl-1-methylpyrazole-5-carboxamide
CID 131153893
2-bromo-5-chloro-N-ethylbenzamide
CID 18630175
4-amino-2-chloro-N-ethylbenzamide;hydrochloride
CID 47000809
2-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-1-(2,5-dichlorophenyl)ethanone
CID 114977887
2-chloro-N-ethyl-4,5-dinitrobenzamide
CID 88924576
5-amino-2-chloro-N-ethyl-4-(ethylamino)benzamide
CID 112756977
5-bromo-3-chloro-N-ethylpyridine-2-carboxamide
CID 155923575
5-bromo-2-chloro-N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]benzamide
CID 115887129
5-chloro-N-ethyl-4-oxo-1H-pyridine-3-carboxamide
CID 130613659
5-bromo-N-ethyl-2-methylfuran-3-carboxamide
CID 130987082
4-chloro-N-ethyl-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19268098

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide?
The IUPAC name of 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide (CID 59887678) is 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide.
What is the SMILES notation for 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide?
The canonical SMILES for 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide is CCNC(=O)c1cc(-c2nn(C)c(CC)c2Br)c(Cl)cc1Cl.
What is the InChIKey of 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide?
The InChIKey is BSXHMTFRQYASIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrCl2N3O/c1-4-12-13(16)14(20-21(12)3)8-6-9(15(22)19-5-2)11(18)7-10(8)17/h6-7H,4-5H2,1-3H3,(H,19,22).
What are the key properties of 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide?
5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide has a molecular weight of 405.12 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-5-ethyl-1-methylpyrazol-3-yl)-2,4-dichloro-N-ethylbenzamide is sourced from PubChem (CID 59887678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).