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

C13H14BrN3O — CID 5330993

IUPAC4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C13H14BrN3O/c1-8(2)11-7-12(17-16-11)15-13(18)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyWATZRHFPUUTHEW-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.55
Rot. Bonds3

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

4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 5330993) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID5330993
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCC(C)c1cc(NC(=O)c2ccc(Br)cc2)n[nH]1
InChIInChI=1S/C13H14BrN3O/c1-8(2)11-7-12(17-16-11)15-13(18)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17,18)
InChIKeyWATZRHFPUUTHEW-UHFFFAOYSA-N
XLogP3.55
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404997
N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404990
3-bromo-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 112696168
4-(carbamoylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115592993
N-(5-propan-2-yl-1H-pyrazol-3-yl)naphthalene-2-carboxamide
CID 47935018
4-bromo-2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404888
3-fluoro-4-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404897
4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115610368
3-bromo-5-nitro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 115744337
2-fluoro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 103633643
2-chloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-4-carboxamide
CID 47404862
6-(cyclopropylamino)-N-(5-propan-2-yl-1H-pyrazol-3-yl)pyridine-3-carboxamide
CID 71881616

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 5330993) is 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is CC(C)c1cc(NC(=O)c2ccc(Br)cc2)n[nH]1.
What is the InChIKey of 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is WATZRHFPUUTHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8(2)11-7-12(17-16-11)15-13(18)9-3-5-10(14)6-4-9/h3-8H,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 308.18 g/mol, XLogP of 3.55, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 5330993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).