2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

C16H19N3O3 — CID 51102404

IUPAC2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C16H19N3O3/c1-10-14(9-18-19-10)8-17-16(21)12(3)22-15-6-4-5-13(7-15)11(2)20/h4-7,9,12H,8H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyOERZGVVVAMOLCM-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.00
Rot. Bonds6

About 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide

2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 51102404) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID51102404
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESCC(=O)c1cccc(OC(C)C(=O)NCc2cn[nH]c2C)c1
InChIInChI=1S/C16H19N3O3/c1-10-14(9-18-19-10)8-17-16(21)12(3)22-15-6-4-5-13(7-15)11(2)20/h4-7,9,12H,8H2,1-3H3,(H,17,21)(H,18,19)
InChIKeyOERZGVVVAMOLCM-UHFFFAOYSA-N
XLogP2.00
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-acetylphenoxy)-N-[(3-methoxy-4-pyridinyl)methyl]propanamide
CID 126812818
2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 71685051
(2S)-2-(3-acetylphenoxy)-N-[(2-phenoxyphenyl)methyl]propanamide
CID 52784598
2-(3-acetylphenoxy)-N-[(4-fluorophenyl)methyl]propanamide
CID 51235146
2-(3-acetylphenoxy)-N-(2-aminoethyl)propanamide;hydrochloride
CID 119382393
(2R)-2-(3-acetylphenoxy)-N-[(2-chloro-1,3-thiazol-5-yl)methyl]propanamide
CID 125141802
2-(3-acetylphenoxy)-N-[2-(ethylamino)ethyl]propanamide
CID 119505122
2-(3-acetylphenoxy)-N-(2-phenylpropyl)propanamide
CID 51141698
(2R)-2-amino-3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 79013070
(2R)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-thiophen-2-ylpropanamide
CID 99809710
methyl 2-(3-acetylphenoxy)propanoate
CID 60643105
2-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentanamide
CID 60767988

Frequently Asked Questions

What is the IUPAC name of 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide (CID 51102404) is 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is CC(=O)c1cccc(OC(C)C(=O)NCc2cn[nH]c2C)c1.
What is the InChIKey of 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is OERZGVVVAMOLCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-14(9-18-19-10)8-17-16(21)12(3)22-15-6-4-5-13(7-15)11(2)20/h4-7,9,12H,8H2,1-3H3,(H,17,21)(H,18,19).
What are the key properties of 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide?
2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 301.35 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-acetylphenoxy)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 51102404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).