3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

C12H11BrClN3O — CID 113286216

IUPAC3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-6-11(7(2)17-16-6)15-12(18)8-3-9(13)5-10(14)4-8/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyLMVAMDFHXLBGNX-UHFFFAOYSA-N
MW328.60 g/mol
LogP3.69
Rot. Bonds2

About 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide

3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (PubChem CID 113286216) has the molecular formula C12H11BrClN3O and a molecular weight of 328.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
PubChem CID113286216
Molecular FormulaC12H11BrClN3O
Molecular Weight328.60 g/mol
Exact Mass326.98
IUPAC Name3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
SMILESCc1n[nH]c(C)c1NC(=O)c1cc(Cl)cc(Br)c1
InChIInChI=1S/C12H11BrClN3O/c1-6-11(7(2)17-16-6)15-12(18)8-3-9(13)5-10(14)4-8/h3-5H,1-2H3,(H,15,18)(H,16,17)
InChIKeyLMVAMDFHXLBGNX-UHFFFAOYSA-N
XLogP3.69
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.60
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-nitrobenzamide
CID 78995321
3,4-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide
CID 43399198
3,5-dichloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)-4-methoxybenzamide
CID 43546454
3-bromo-5-chloro-N-(2,4,6-tribromophenyl)benzamide
CID 107951551
3-amino-5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-methylbenzamide
CID 107872220
3-bromo-5-chloro-N-(5,6-dimethyl-1,2,4-triazin-3-yl)benzamide
CID 114020153
3-bromo-5-chloro-N-(4-ethyl-1H-pyrazol-5-yl)benzamide
CID 113286320
N-(3,5-dimethyl-1H-pyrazol-4-yl)-3-fluorobenzamide
CID 894729
N-(3,5-dimethyl-1H-pyrazol-4-yl)naphthalene-2-carboxamide
CID 43399081
3-bromo-5-chloro-N-(2,5-dimethylpyrazol-3-yl)benzamide
CID 103826786
3-bromo-5-chloro-N-(2-fluoro-5-methylphenyl)benzamide
CID 107951534
3-amino-N-(3,5-dimethyl-1H-pyrazol-4-yl)-5-methoxybenzamide
CID 81090898

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The IUPAC name of 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide (CID 113286216) is 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide.
What is the SMILES notation for 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The canonical SMILES for 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is Cc1n[nH]c(C)c1NC(=O)c1cc(Cl)cc(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
The InChIKey is LMVAMDFHXLBGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClN3O/c1-6-11(7(2)17-16-6)15-12(18)8-3-9(13)5-10(14)4-8/h3-5H,1-2H3,(H,15,18)(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide?
3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide has a molecular weight of 328.60 g/mol, XLogP of 3.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(3,5-dimethyl-1H-pyrazol-4-yl)benzamide is sourced from PubChem (CID 113286216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).