4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide

C15H19N3O2 — CID 47038579

IUPAC4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C15H19N3O2/c1-11-5-3-6-13(9-11)20-8-4-7-15(19)16-14-10-12(2)17-18-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyALRVPMZAMJZTKZ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.82
Rot. Bonds6

About 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide

4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide (PubChem CID 47038579) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide.

Molecular Properties

Compound Name4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide
PubChem CID47038579
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide
SMILESCc1cccc(OCCCC(=O)Nc2cc(C)[nH]n2)c1
InChIInChI=1S/C15H19N3O2/c1-11-5-3-6-13(9-11)20-8-4-7-15(19)16-14-10-12(2)17-18-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,16,17,18,19)
InChIKeyALRVPMZAMJZTKZ-UHFFFAOYSA-N
XLogP2.82
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The IUPAC name of 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide (CID 47038579) is 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide.
What is the SMILES notation for 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The canonical SMILES for 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide is Cc1cccc(OCCCC(=O)Nc2cc(C)[nH]n2)c1.
What is the InChIKey of 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
The InChIKey is ALRVPMZAMJZTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-5-3-6-13(9-11)20-8-4-7-15(19)16-14-10-12(2)17-18-14/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide?
4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide has a molecular weight of 273.34 g/mol, XLogP of 2.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylphenoxy)-N-(5-methyl-1H-pyrazol-3-yl)butanamide is sourced from PubChem (CID 47038579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).