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

C21H23N3O2 — CID 38449360

IUPACN-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCc1ccc(OCCNC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3O2/c1-17-7-10-20(11-8-17)26-14-13-22-21(25)12-9-18-15-23-24(16-18)19-5-3-2-4-6-19/h2-8,10-11,15-16H,9,12-14H2,1H3,(H,22,25)
InChIKeyDXILKNWOPXYREX-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.31
Rot. Bonds8

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

N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide (PubChem CID 38449360) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide.

Molecular Properties

Compound NameN-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
PubChem CID38449360
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide
SMILESCc1ccc(OCCNC(=O)CCc2cnn(-c3ccccc3)c2)cc1
InChIInChI=1S/C21H23N3O2/c1-17-7-10-20(11-8-17)26-14-13-22-21(25)12-9-18-15-23-24(16-18)19-5-3-2-4-6-19/h2-8,10-11,15-16H,9,12-14H2,1H3,(H,22,25)
InChIKeyDXILKNWOPXYREX-UHFFFAOYSA-N
XLogP3.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-methylphenoxy)ethyl]-3-phenylpropanamide
CID 5227207
4-(4-acetylphenoxy)-N-[2-(1-phenylpyrazol-4-yl)ethyl]butanamide
CID 134000599
N-[3-(methylamino)propyl]-3-(1-phenylpyrazol-4-yl)propanamide;hydrochloride
CID 119430045
2-methyl-1-[2-(4-methylphenoxy)ethyl]-3-[(1-phenylpyrazol-4-yl)methyl]guanidine
CID 111277497
3-(4-methylphenyl)-N-(3-phenoxypropyl)propanamide
CID 10803968
N-[2-(2-methylcyclohexyl)oxyethyl]-3-(1-phenylpyrazol-4-yl)propanamide
CID 55717575
N'-[2-(4-fluorophenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 26782133
4-[(4-methylphenoxy)methyl]-1-phenylpyrazole
CID 60710496
1-[2-(4-methoxyphenoxy)ethyl]-2-methyl-3-[2-(1-phenylpyrazol-4-yl)ethyl]guanidine
CID 111410599
N'-[2-(3-methylphenoxy)acetyl]-3-(1-phenylpyrazol-4-yl)propanehydrazide
CID 35768091
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[2-(1-phenylpyrazol-4-yl)ethyl]acetamide
CID 55505000
3-(4-methylphenyl)-N-[2-(3-phenoxypropanoylamino)ethyl]propanamide
CID 108542327

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The IUPAC name of N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide (CID 38449360) is N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide.
What is the SMILES notation for N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The canonical SMILES for N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide is Cc1ccc(OCCNC(=O)CCc2cnn(-c3ccccc3)c2)cc1.
What is the InChIKey of N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
The InChIKey is DXILKNWOPXYREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-17-7-10-20(11-8-17)26-14-13-22-21(25)12-9-18-15-23-24(16-18)19-5-3-2-4-6-19/h2-8,10-11,15-16H,9,12-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide?
N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide has a molecular weight of 349.43 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenoxy)ethyl]-3-(1-phenylpyrazol-4-yl)propanamide is sourced from PubChem (CID 38449360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).