N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide

C16H21N3O2 — CID 75455498

IUPACN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cn(C)nc2C)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-5-7-15(8-11)21-13(3)16(20)17-9-14-10-19(4)18-12(14)2/h5-8,10,13H,9H2,1-4H3,(H,17,20)
InChIKeyHFVPDGYGIWXHFL-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds5

About N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide (PubChem CID 75455498) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide.

Molecular Properties

Compound NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
PubChem CID75455498
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide
SMILESCc1cccc(OC(C)C(=O)NCc2cn(C)nc2C)c1
InChIInChI=1S/C16H21N3O2/c1-11-6-5-7-15(8-11)21-13(3)16(20)17-9-14-10-19(4)18-12(14)2/h5-8,10,13H,9H2,1-4H3,(H,17,20)
InChIKeyHFVPDGYGIWXHFL-UHFFFAOYSA-N
XLogP2.12
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[2-(hydroxymethyl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 110909100
2-(3-methylphenoxy)-N-(naphthalen-1-ylmethyl)propanamide
CID 133218956
N-[(2-chlorophenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 6915501
(2R)-N-[(2-ethoxyphenyl)methyl]-2-(3-methylphenoxy)propanamide
CID 92679385
(2S)-N-[[2-(2-methylimidazol-1-yl)phenyl]methyl]-2-(3-methylphenoxy)propanamide
CID 92675979
N-(3-imidazol-1-ylpropyl)-2-(3-methylphenoxy)propanamide
CID 21367526
2-(3-methylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 21366996
2-(3-methylphenoxy)-N-[[2-(methylsulfamoylmethyl)phenyl]methyl]propanamide
CID 24554461
(2R)-2-(3,5-dimethylphenoxy)-N-[(3-methylphenyl)methyl]propanamide
CID 99132130
(2S)-N-[(3-methylphenyl)methyl]-2-phenoxypropanamide
CID 38295049
dimethyl-[[4-[[[(2S)-2-(3-methylphenoxy)propanoyl]amino]methyl]phenyl]methyl]azanium
CID 9194529
N-[2-(ethylamino)ethyl]-2-(3-methylphenoxy)propanamide
CID 119504615

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide?
The IUPAC name of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide (CID 75455498) is N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide.
What is the SMILES notation for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide?
The canonical SMILES for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide is Cc1cccc(OC(C)C(=O)NCc2cn(C)nc2C)c1.
What is the InChIKey of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide?
The InChIKey is HFVPDGYGIWXHFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-6-5-7-15(8-11)21-13(3)16(20)17-9-14-10-19(4)18-12(14)2/h5-8,10,13H,9H2,1-4H3,(H,17,20).
What are the key properties of N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide?
N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide has a molecular weight of 287.36 g/mol, XLogP of 2.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-(3-methylphenoxy)propanamide is sourced from PubChem (CID 75455498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).