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

C14H16BrN3O2 — CID 115610368

IUPAC4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C14H16BrN3O2/c1-8(2)11-7-13(18-17-11)16-14(19)10-5-4-9(15)6-12(10)20-3/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyPMZAKNKUQABROO-UHFFFAOYSA-N
MW338.21 g/mol
LogP3.56
Rot. Bonds4

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

4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (PubChem CID 115610368) has the molecular formula C14H16BrN3O2 and a molecular weight of 338.21 g/mol. Its IUPAC name is 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.

Molecular Properties

Compound Name4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
PubChem CID115610368
Molecular FormulaC14H16BrN3O2
Molecular Weight338.21 g/mol
Exact Mass337.04
IUPAC Name4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
SMILESCOc1cc(Br)ccc1C(=O)Nc1cc(C(C)C)[nH]n1
InChIInChI=1S/C14H16BrN3O2/c1-8(2)11-7-13(18-17-11)16-14(19)10-5-4-9(15)6-12(10)20-3/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyPMZAKNKUQABROO-UHFFFAOYSA-N
XLogP3.56
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.21
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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
4-bromo-2-methoxy-N-(4-methyl-2-pyridinyl)benzamide
CID 78988670
4-bromo-2-methoxy-N-(4-propan-2-ylphenyl)benzamide
CID 115369160
2-bromo-3-methyl-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 113339737
2-(4-bromo-2-chlorophenoxy)-N-(5-propan-2-yl-1H-pyrazol-3-yl)acetamide
CID 115593026
2,5-dichloro-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide
CID 47404950
4-bromo-N-(5-bromo-2-methoxyphenyl)-2-methoxybenzamide
CID 78987917
4-bromo-N-(1,1-dimethoxypropan-2-yl)-2-methoxybenzamide
CID 115369120
4-bromo-N-[(2R)-1-hydroxypropan-2-yl]-2-methoxybenzamide
CID 115369589
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

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The IUPAC name of 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide (CID 115610368) is 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide.
What is the SMILES notation for 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The canonical SMILES for 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is COc1cc(Br)ccc1C(=O)Nc1cc(C(C)C)[nH]n1.
What is the InChIKey of 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
The InChIKey is PMZAKNKUQABROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O2/c1-8(2)11-7-13(18-17-11)16-14(19)10-5-4-9(15)6-12(10)20-3/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide?
4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide has a molecular weight of 338.21 g/mol, XLogP of 3.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-methoxy-N-(5-propan-2-yl-1H-pyrazol-3-yl)benzamide is sourced from PubChem (CID 115610368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).