2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C14H16BrN3O — CID 113339737

IUPAC2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1Br
InChIInChI=1S/C14H16BrN3O/c1-8(2)11-7-12(18-17-11)16-14(19)10-6-4-5-9(3)13(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyJBRJFXFYFOQPRA-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.86
Rot. Bonds3

About 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 113339737) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID113339737
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1Br
InChIInChI=1S/C14H16BrN3O/c1-8(2)11-7-12(18-17-11)16-14(19)10-6-4-5-9(3)13(10)15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyJBRJFXFYFOQPRA-UHFFFAOYSA-N
XLogP3.86
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616261
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-methyl-5-methylsulfanyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610359
2-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-3-methylbenzamide
CID 113339789
5-amino-2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 104616320
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610368
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
5-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)-1,2-oxazole-4-carboxamide
CID 113433770

Frequently Asked Questions

What is the IUPAC name of 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 113339737) is 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is Cc1cccc(C(=O)Nc2cc(C(C)C)[nH]n2)c1Br.
What is the InChIKey of 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is JBRJFXFYFOQPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8(2)11-7-12(18-17-11)16-14(19)10-6-4-5-9(3)13(10)15/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 322.21 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 113339737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).