5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide

C15H18BrN3O2 — CID 30954749

IUPAC5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C15H18BrN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)13-9-12(16)4-5-14(13)20/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyYCVUSLJVRUWRSA-UHFFFAOYSA-N
MW352.23 g/mol
LogP2.79
Rot. Bonds5

About 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide

5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide (PubChem CID 30954749) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide.

Molecular Properties

Compound Name5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide
PubChem CID30954749
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide
SMILESCc1cc(C)n(CCCNC(=O)c2cc(Br)ccc2O)n1
InChIInChI=1S/C15H18BrN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)13-9-12(16)4-5-14(13)20/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21)
InChIKeyYCVUSLJVRUWRSA-UHFFFAOYSA-N
XLogP2.79
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide?
The IUPAC name of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide (CID 30954749) is 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide.
What is the SMILES notation for 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide?
The canonical SMILES for 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide is Cc1cc(C)n(CCCNC(=O)c2cc(Br)ccc2O)n1.
What is the InChIKey of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide?
The InChIKey is YCVUSLJVRUWRSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-8-11(2)19(18-10)7-3-6-17-15(21)13-9-12(16)4-5-14(13)20/h4-5,8-9,20H,3,6-7H2,1-2H3,(H,17,21).
What are the key properties of 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide?
5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide has a molecular weight of 352.23 g/mol, XLogP of 2.79, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-2-hydroxybenzamide is sourced from PubChem (CID 30954749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).