2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

C15H19N3O2 — CID 47045575

IUPAC2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O2/c1-12-3-5-14(6-4-12)20-11-15(19)16-8-7-13-9-17-18(2)10-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,16,19)
InChIKeyCGAWVQIMHUUBSI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.47
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide

2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (PubChem CID 47045575) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
PubChem CID47045575
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
SMILESCc1ccc(OCC(=O)NCCc2cnn(C)c2)cc1
InChIInChI=1S/C15H19N3O2/c1-12-3-5-14(6-4-12)20-11-15(19)16-8-7-13-9-17-18(2)10-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,16,19)
InChIKeyCGAWVQIMHUUBSI-UHFFFAOYSA-N
XLogP1.47
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-methylpyrazol-4-yl)ethyl]-3-phenoxypropanamide
CID 47352395
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]guanidine;hydroiodide
CID 111277800
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
2-(4-methylphenoxy)-N-[2-(1H-pyrrol-3-yl)ethyl]acetamide
CID 110789370
2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
N-methyl-2-(4-methylphenoxy)-N-[(1-methylpyrazol-4-yl)methyl]acetamide
CID 17376901
N-[2-(4-chlorophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 2632440
N-[2-(4-aminophenyl)ethyl]-2-(4-methylphenoxy)acetamide
CID 39384693
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863
N-[2-(1-methylpyrazol-4-yl)ethyl]-4-oxopentanamide
CID 80682207
2-chloro-N-[2-(1-methylpyrazol-4-yl)ethylcarbamoyl]acetamide
CID 80688704
5-chloro-N-[2-(1-methylpyrazol-4-yl)ethyl]pentanamide
CID 80683229

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide (CID 47045575) is 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is Cc1ccc(OCC(=O)NCCc2cnn(C)c2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
The InChIKey is CGAWVQIMHUUBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-3-5-14(6-4-12)20-11-15(19)16-8-7-13-9-17-18(2)10-13/h3-6,9-10H,7-8,11H2,1-2H3,(H,16,19).
What are the key properties of 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide?
2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide has a molecular weight of 273.34 g/mol, XLogP of 1.47, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 47045575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).