2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide

C23H25N3O3 — CID 42575957

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide
SMILESCc1cccc(OCCCNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H25N3O3/c1-16-9-7-12-20(15-16)29-14-8-13-24-23(28)22(27)21-17(2)25-26(18(21)3)19-10-5-4-6-11-19/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,24,28)
InChIKeyZZFXWNSMQNRDQA-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.57
Rot. Bonds8

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide (PubChem CID 42575957) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide
PubChem CID42575957
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide
SMILESCc1cccc(OCCCNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1
InChIInChI=1S/C23H25N3O3/c1-16-9-7-12-20(15-16)29-14-8-13-24-23(28)22(27)21-17(2)25-26(18(21)3)19-10-5-4-6-11-19/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,24,28)
InChIKeyZZFXWNSMQNRDQA-UHFFFAOYSA-N
XLogP3.57
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-[2-(3-methylphenoxy)ethylamino]-2-oxoethyl] 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 40698436
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(1,3-thiazol-2-yl)ethyl]acetamide
CID 49356434
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(4-phenylpiperazin-1-yl)ethyl]acetamide
CID 46410529
N-[3-(2-methoxyethoxy)propyl]-3,5-dimethyl-1-phenylpyrazole-4-carboxamide
CID 134029697
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 55722123
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-2-oxoacetamide
CID 86825790
N-[2-(dimethylamino)-2-phenylethyl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide
CID 51273944
2-(3-methylphenoxy)-N-[3-(3-methylphenoxy)propyl]acetamide
CID 24533364
3,5-dimethyl-1-phenyl-N-(2-sulfanylethyl)pyrazole-4-carboxamide
CID 13170727
1-(3-methylphenyl)-N-(2-phenoxyethyl)-1,2,4-triazole-3-carboxamide
CID 42692695
N-[2-(benzenesulfonyl)ethyl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetamide
CID 55733995
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxo-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]acetamide
CID 18284701

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide (CID 42575957) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide is Cc1cccc(OCCCNC(=O)C(=O)c2c(C)nn(-c3ccccc3)c2C)c1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide?
The InChIKey is ZZFXWNSMQNRDQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-16-9-7-12-20(15-16)29-14-8-13-24-23(28)22(27)21-17(2)25-26(18(21)3)19-10-5-4-6-11-19/h4-7,9-12,15H,8,13-14H2,1-3H3,(H,24,28).
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide has a molecular weight of 391.47 g/mol, XLogP of 3.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-N-[3-(3-methylphenoxy)propyl]-2-oxoacetamide is sourced from PubChem (CID 42575957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).