3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide

C16H18BrN3O — CID 134796395

IUPAC3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN3O/c1-20-15(10-14(19-20)11-5-2-3-6-11)18-16(21)12-7-4-8-13(17)9-12/h4,7-11H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyRSKYYKOQLLMEFZ-UHFFFAOYSA-N
MW348.24 g/mol
LogP4.09
Rot. Bonds3

About 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide

3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide (PubChem CID 134796395) has the molecular formula C16H18BrN3O and a molecular weight of 348.24 g/mol. Its IUPAC name is 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide.

Molecular Properties

Compound Name3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide
PubChem CID134796395
Molecular FormulaC16H18BrN3O
Molecular Weight348.24 g/mol
Exact Mass347.06
IUPAC Name3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide
SMILESCn1nc(C2CCCC2)cc1NC(=O)c1cccc(Br)c1
InChIInChI=1S/C16H18BrN3O/c1-20-15(10-14(19-20)11-5-2-3-6-11)18-16(21)12-7-4-8-13(17)9-12/h4,7-11H,2-3,5-6H2,1H3,(H,18,21)
InChIKeyRSKYYKOQLLMEFZ-UHFFFAOYSA-N
XLogP4.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.24
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide?
The IUPAC name of 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide (CID 134796395) is 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide.
What is the SMILES notation for 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide?
The canonical SMILES for 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide is Cn1nc(C2CCCC2)cc1NC(=O)c1cccc(Br)c1.
What is the InChIKey of 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide?
The InChIKey is RSKYYKOQLLMEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrN3O/c1-20-15(10-14(19-20)11-5-2-3-6-11)18-16(21)12-7-4-8-13(17)9-12/h4,7-11H,2-3,5-6H2,1H3,(H,18,21).
What are the key properties of 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide?
3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide has a molecular weight of 348.24 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-cyclopentyl-1-methylpyrazol-5-yl)benzamide is sourced from PubChem (CID 134796395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).