N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide

C20H21N3O2 — CID 42989450

IUPACN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3)c2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14-9-11-17(12-10-14)23-16(3)20(15(2)22-23)21-19(24)13-25-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyYXDBROOLYCZDIR-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.82
Rot. Bonds5

About N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide

N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide (PubChem CID 42989450) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
PubChem CID42989450
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide
SMILESCc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3)c2C)cc1
InChIInChI=1S/C20H21N3O2/c1-14-9-11-17(12-10-14)23-16(3)20(15(2)22-23)21-19(24)13-25-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,21,24)
InChIKeyYXDBROOLYCZDIR-UHFFFAOYSA-N
XLogP3.82
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-tert-butylphenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 24543226
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 38928933
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 2-(3-fluorophenoxy)acetate
CID 8913907
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-(4-phenylphenyl)acetamide
CID 24659529
2-(2,3-dihydro-1H-inden-5-yloxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 78767051
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-[2-(1,3-dithiolan-2-yl)phenoxy]acetamide
CID 24667503
[2-[[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]amino]-2-oxoethyl] 3-(2-methylphenoxy)propanoate
CID 7841671
2-benzhydrylsulfanyl-N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]acetamide
CID 24659414
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] (2R)-2-phenoxypropanoate
CID 7833656
N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528207
[2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)amino]-2-oxoethyl] 2-(4-methylbenzoyl)benzoate
CID 2662355
2-(2,4-dichlorophenoxy)-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 2469908

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide?
The IUPAC name of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide (CID 42989450) is N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide.
What is the SMILES notation for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide?
The canonical SMILES for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide is Cc1ccc(-n2nc(C)c(NC(=O)COc3ccccc3)c2C)cc1.
What is the InChIKey of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide?
The InChIKey is YXDBROOLYCZDIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-9-11-17(12-10-14)23-16(3)20(15(2)22-23)21-19(24)13-25-18-7-5-4-6-8-18/h4-12H,13H2,1-3H3,(H,21,24).
What are the key properties of N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide?
N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide has a molecular weight of 335.41 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-(4-methylphenyl)pyrazol-4-yl]-2-phenoxyacetamide is sourced from PubChem (CID 42989450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).