3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C16H21N3O2 — CID 103855945

IUPAC3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-12(2)8-15(7-11)21-5-4-16(20)19-13(3)14-9-17-18-10-14/h6-10,13H,4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRYQWTSVAKANGGT-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.67
Rot. Bonds6

About 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103855945) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103855945
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1cc(C)cc(OCCC(=O)NC(C)c2cn[nH]c2)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-12(2)8-15(7-11)21-5-4-16(20)19-13(3)14-9-17-18-10-14/h6-10,13H,4-5H2,1-3H3,(H,17,18)(H,19,20)
InChIKeyRYQWTSVAKANGGT-UHFFFAOYSA-N
XLogP2.67
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856001
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
2-(3-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]acetamide
CID 103856094
3-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856287
5-amino-N-[1-(1H-pyrazol-4-yl)ethyl]pentanamide
CID 106212776
N-[1-(1H-pyrazol-4-yl)ethyl]octanamide
CID 103856713
N-[1-(1H-pyrazol-4-yl)ethyl]nonanamide
CID 113339621
3-(cyclopropylamino)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 106212808
3-(3-methylphenoxy)-N-(1-phenylethyl)propanamide
CID 43006794
methyl (2S)-2-[3-(3,5-dimethylphenoxy)propanoylamino]propanoate
CID 87040329
N-[(1S)-1-(4-fluorophenyl)ethyl]-3-(3-methylphenoxy)propanamide
CID 2469859

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103855945) is 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is Cc1cc(C)cc(OCCC(=O)NC(C)c2cn[nH]c2)c1.
What is the InChIKey of 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is RYQWTSVAKANGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-12(2)8-15(7-11)21-5-4-16(20)19-13(3)14-9-17-18-10-14/h6-10,13H,4-5H2,1-3H3,(H,17,18)(H,19,20).
What are the key properties of 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103855945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).