3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

C15H19N3O2 — CID 103856001

IUPAC3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1ccccc1OCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C15H19N3O2/c1-11-5-3-4-6-14(11)20-8-7-15(19)18-12(2)13-9-16-17-10-13/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyASCNZHLUDMABCF-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.36
Rot. Bonds6

About 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide

3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (PubChem CID 103856001) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
PubChem CID103856001
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
SMILESCc1ccccc1OCCC(=O)NC(C)c1cn[nH]c1
InChIInChI=1S/C15H19N3O2/c1-11-5-3-4-6-14(11)20-8-7-15(19)18-12(2)13-9-16-17-10-13/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)(H,18,19)
InChIKeyASCNZHLUDMABCF-UHFFFAOYSA-N
XLogP2.36
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 ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(2-methylphenoxy)propanamide
CID 9218369
3-(3,5-dimethylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855945
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
N-[1-[4-(diethylsulfamoyl)phenyl]ethyl]-3-(2-methylphenoxy)propanamide
CID 55338890
N-[(2R)-1-hydroxypropan-2-yl]-3-(2-methylphenoxy)propanamide
CID 79027770
3-(4-methylphenyl)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103856183
3-(4-fluorophenyl)sulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide
CID 103855886
2-(2-methylphenoxy)-N-[(1S)-1-(4-methylphenyl)ethyl]acetamide
CID 94012505
N-[(2S)-1-hydroxybutan-2-yl]-3-(2-methylphenoxy)propanamide
CID 104981198
3-[3-(2-methylphenoxy)propanoylamino]butanoic acid
CID 43240704
methyl 2-[3-(2-methylphenoxy)propanoylamino]propanoate
CID 60638161
2-[2-oxo-2-[1-(1H-pyrazol-4-yl)ethylamino]ethoxy]benzamide
CID 106217638

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The IUPAC name of 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide (CID 103856001) is 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide.
What is the SMILES notation for 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The canonical SMILES for 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is Cc1ccccc1OCCC(=O)NC(C)c1cn[nH]c1.
What is the InChIKey of 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
The InChIKey is ASCNZHLUDMABCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-11-5-3-4-6-14(11)20-8-7-15(19)18-12(2)13-9-16-17-10-13/h3-6,9-10,12H,7-8H2,1-2H3,(H,16,17)(H,18,19).
What are the key properties of 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide?
3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide has a molecular weight of 273.34 g/mol, XLogP of 2.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylphenoxy)-N-[1-(1H-pyrazol-4-yl)ethyl]propanamide is sourced from PubChem (CID 103856001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).