3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

C14H16BrN3O — CID 112696168

IUPAC3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-8(2)12-7-13(18-17-12)16-14(19)10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyJMXYBXWBSYYDDY-UHFFFAOYSA-N
MW322.21 g/mol
LogP3.86
Rot. Bonds3

About 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide

3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 112696168) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID112696168
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1Br
InChIInChI=1S/C14H16BrN3O/c1-8(2)12-7-13(18-17-12)16-14(19)10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyJMXYBXWBSYYDDY-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

3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 5330993
4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
3-bromo-N-(4,5-dimethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 112696158
2,6-difluoro-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115875333
3-bromo-N-(5-bromo-4-methyl-2-pyridinyl)-4-methylbenzamide
CID 81472094

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 112696168) is 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is Cc1ccc(C(=O)Nc2cc(C(C)C)[nH]n2)cc1Br.
What is the InChIKey of 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is JMXYBXWBSYYDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-8(2)12-7-13(18-17-12)16-14(19)10-5-4-9(3)11(15)6-10/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
3-bromo-4-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 3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 112696168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).