5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide

C16H20BrN3O — CID 65307383

IUPAC5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C16H20BrN3O/c1-9(2)20-12(5)15(11(4)19-20)18-16(21)14-8-13(17)7-6-10(14)3/h6-9H,1-5H3,(H,18,21)
InChIKeyIYPBGDORZLWYPU-UHFFFAOYSA-N
MW350.26 g/mol
LogP4.40
Rot. Bonds3

About 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide

5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide (PubChem CID 65307383) has the molecular formula C16H20BrN3O and a molecular weight of 350.26 g/mol. Its IUPAC name is 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide.

Molecular Properties

Compound Name5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
PubChem CID65307383
Molecular FormulaC16H20BrN3O
Molecular Weight350.26 g/mol
Exact Mass349.08
IUPAC Name5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide
SMILESCc1ccc(Br)cc1C(=O)Nc1c(C)nn(C(C)C)c1C
InChIInChI=1S/C16H20BrN3O/c1-9(2)20-12(5)15(11(4)19-20)18-16(21)14-8-13(17)7-6-10(14)3/h6-9H,1-5H3,(H,18,21)
InChIKeyIYPBGDORZLWYPU-UHFFFAOYSA-N
XLogP4.40
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.26
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-3-methylbenzamide
CID 61101805
5-bromo-N-(2,6-dimethylphenyl)-2-methylbenzamide
CID 65307111
5-bromo-2-methyl-N-(1-methylpyrazol-3-yl)benzamide
CID 65307280
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-4-methylfuro[3,2-b]pyrrole-5-carboxamide
CID 91958685
2-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylpropanamide
CID 114328057
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
5-bromo-2-(difluoromethoxy)-N-(1,3,5-trimethylpyrazol-4-yl)benzamide
CID 19393442
5-bromo-N-[3-(methoxymethyl)-2,6-dimethylphenyl]-2-methylbenzamide
CID 123151118
(2S)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 65305994
5-bromo-2-methyl-N-(2-methylpropyl)benzamide
CID 65308117
(2R)-2-[(5-bromo-2-methylbenzoyl)amino]propanoic acid
CID 79005193
5-bromo-2-methyl-N-(2-methylphenyl)benzamide
CID 65307068

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide?
The IUPAC name of 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide (CID 65307383) is 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide.
What is the SMILES notation for 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide?
The canonical SMILES for 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide is Cc1ccc(Br)cc1C(=O)Nc1c(C)nn(C(C)C)c1C.
What is the InChIKey of 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide?
The InChIKey is IYPBGDORZLWYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20BrN3O/c1-9(2)20-12(5)15(11(4)19-20)18-16(21)14-8-13(17)7-6-10(14)3/h6-9H,1-5H3,(H,18,21).
What are the key properties of 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide?
5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide has a molecular weight of 350.26 g/mol, XLogP of 4.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)-2-methylbenzamide is sourced from PubChem (CID 65307383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).