4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide

C15H18BrN3O3 — CID 166241421

IUPAC4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(CO)CNC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C15H18BrN3O3/c1-15(10-20,22-2)9-17-14(21)11-3-5-13(6-4-11)19-8-12(16)7-18-19/h3-8,20H,9-10H2,1-2H3,(H,17,21)
InChIKeyHOLKWAZBPOTVGV-UHFFFAOYSA-N
MW368.23 g/mol
LogP1.76
Rot. Bonds6

About 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide

4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide (PubChem CID 166241421) has the molecular formula C15H18BrN3O3 and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide
PubChem CID166241421
Molecular FormulaC15H18BrN3O3
Molecular Weight368.23 g/mol
Exact Mass367.05
IUPAC Name4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide
SMILESCOC(C)(CO)CNC(=O)c1ccc(-n2cc(Br)cn2)cc1
InChIInChI=1S/C15H18BrN3O3/c1-15(10-20,22-2)9-17-14(21)11-3-5-13(6-4-11)19-8-12(16)7-18-19/h3-8,20H,9-10H2,1-2H3,(H,17,21)
InChIKeyHOLKWAZBPOTVGV-UHFFFAOYSA-N
XLogP1.76
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide (CID 166241421) is 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide is COC(C)(CO)CNC(=O)c1ccc(-n2cc(Br)cn2)cc1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide?
The InChIKey is HOLKWAZBPOTVGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O3/c1-15(10-20,22-2)9-17-14(21)11-3-5-13(6-4-11)19-8-12(16)7-18-19/h3-8,20H,9-10H2,1-2H3,(H,17,21).
What are the key properties of 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide?
4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide has a molecular weight of 368.23 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N-(3-hydroxy-2-methoxy-2-methylpropyl)benzamide is sourced from PubChem (CID 166241421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).