N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide

C15H19N3O2 — CID 115610134

IUPACN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2n[nH]c(C)c2C)c1
InChIInChI=1S/C15H19N3O2/c1-10-5-4-6-13(9-10)20-8-7-14(19)16-15-11(2)12(3)17-18-15/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyLGVINKRLYXIPLJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.74
Rot. Bonds5

About N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide

N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide (PubChem CID 115610134) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
PubChem CID115610134
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide
SMILESCc1cccc(OCCC(=O)Nc2n[nH]c(C)c2C)c1
InChIInChI=1S/C15H19N3O2/c1-10-5-4-6-13(9-10)20-8-7-14(19)16-15-11(2)12(3)17-18-15/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18,19)
InChIKeyLGVINKRLYXIPLJ-UHFFFAOYSA-N
XLogP2.74
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115610256
N-(4-cyano-1H-pyrazol-5-yl)-3-(3-methylphenoxy)propanamide
CID 78913810
2-(3,4-dimethylphenoxy)-N-(4,5-dimethyl-1H-pyrazol-3-yl)acetamide
CID 115594824
N-(4-chlorophenyl)-3-(3-methylphenoxy)propanamide
CID 7965845
N-ethyl-3-(3-methylphenoxy)propanamide
CID 2129235
N-(5-chloropyrazin-2-yl)-3-(3-methylphenoxy)propanamide
CID 107595790
N-(5-iodo-2-pyridinyl)-3-(3-methylphenoxy)propanamide
CID 65098554
N-(2-bromo-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 82712318
N-(2-bromo-4-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 17395169
N-(2-fluorophenyl)-3-(3-methylphenoxy)propanamide
CID 9413689
N-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propanamide
CID 808300
N'-acetyl-3-(3-methylphenoxy)propanehydrazide
CID 30905648

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide?
The IUPAC name of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide (CID 115610134) is N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide is Cc1cccc(OCCC(=O)Nc2n[nH]c(C)c2C)c1.
What is the InChIKey of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide?
The InChIKey is LGVINKRLYXIPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-10-5-4-6-13(9-10)20-8-7-14(19)16-15-11(2)12(3)17-18-15/h4-6,9H,7-8H2,1-3H3,(H2,16,17,18,19).
What are the key properties of N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide?
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-(3-methylphenoxy)propanamide is sourced from PubChem (CID 115610134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).