4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

C15H18BrN3O2 — CID 43399152

IUPAC4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2/c1-10-15(11(2)19-18-10)17-14(20)4-3-9-21-13-7-5-12(16)6-8-13/h5-8H,3-4,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYBQKONNRDUVXPJ-UHFFFAOYSA-N
MW352.23 g/mol
LogP3.59
Rot. Bonds6

About 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide

4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (PubChem CID 43399152) has the molecular formula C15H18BrN3O2 and a molecular weight of 352.23 g/mol. Its IUPAC name is 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound Name4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
PubChem CID43399152
Molecular FormulaC15H18BrN3O2
Molecular Weight352.23 g/mol
Exact Mass351.06
IUPAC Name4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide
SMILESCc1n[nH]c(C)c1NC(=O)CCCOc1ccc(Br)cc1
InChIInChI=1S/C15H18BrN3O2/c1-10-15(11(2)19-18-10)17-14(20)4-3-9-21-13-7-5-12(16)6-8-13/h5-8H,3-4,9H2,1-2H3,(H,17,20)(H,18,19)
InChIKeyYBQKONNRDUVXPJ-UHFFFAOYSA-N
XLogP3.59
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.23
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(4-bromophenoxy)-N-(5-methyl-1H-1,2,4-triazol-3-yl)butanamide
CID 78927713
5-bromo-N-(3,5-dimethyl-1H-pyrazol-4-yl)pentanamide
CID 107908306
2-(4-aminophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 55124971
2-(4-chlorophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 5305539
2-(4-acetylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 78767751
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-(4-propan-2-ylphenoxy)acetamide
CID 43397481
4-(4-bromophenoxy)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]butanamide
CID 27760159
4-(4-bromophenoxy)-N-pyridin-4-ylbutanamide
CID 27700039
3-(2,4-dimethylphenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)propanamide
CID 43546863
4-(4-bromophenoxy)-N-(2-methoxy-5-methylphenyl)butanamide
CID 2684775
4-[(3,5-dimethyl-1H-pyrazol-4-yl)amino]-4-oxobutanoic acid
CID 16645428
N-[4-(4-bromophenyl)-5-methyl-1,3-thiazol-2-yl]-4-(4-methylphenoxy)butanamide
CID 19218771

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The IUPAC name of 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide (CID 43399152) is 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The canonical SMILES for 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is Cc1n[nH]c(C)c1NC(=O)CCCOc1ccc(Br)cc1.
What is the InChIKey of 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
The InChIKey is YBQKONNRDUVXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3O2/c1-10-15(11(2)19-18-10)17-14(20)4-3-9-21-13-7-5-12(16)6-8-13/h5-8H,3-4,9H2,1-2H3,(H,17,20)(H,18,19).
What are the key properties of 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide?
4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide has a molecular weight of 352.23 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenoxy)-N-(3,5-dimethyl-1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 43399152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).