N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

C28H29N3O3 — CID 55806762

IUPACN-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c1
InChIInChI=1S/C28H29N3O3/c1-3-33-16-17-34-20-22-11-9-12-23(18-22)29-28(32)26-19-31(24-13-5-4-6-14-24)30-27(26)25-15-8-7-10-21(25)2/h4-15,18-19H,3,16-17,20H2,1-2H3,(H,29,32)
InChIKeySCTAFJVMHFMCIC-UHFFFAOYSA-N
MW455.56 g/mol
LogP5.65
Rot. Bonds10

About N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide

N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (PubChem CID 55806762) has the molecular formula C28H29N3O3 and a molecular weight of 455.56 g/mol. Its IUPAC name is N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
PubChem CID55806762
Molecular FormulaC28H29N3O3
Molecular Weight455.56 g/mol
Exact Mass455.22
IUPAC NameN-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
SMILESCCOCCOCc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c1
InChIInChI=1S/C28H29N3O3/c1-3-33-16-17-34-20-22-11-9-12-23(18-22)29-28(32)26-19-31(24-13-5-4-6-14-24)30-27(26)25-15-8-7-10-21(25)2/h4-15,18-19H,3,16-17,20H2,1-2H3,(H,29,32)
InChIKeySCTAFJVMHFMCIC-UHFFFAOYSA-N
XLogP5.65
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide 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

N-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 112824078
3-(3,4-dimethylphenyl)-N-[3-(hydroxymethyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 9162880
3-(2-methylphenyl)-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-phenylpyrazole-4-carboxamide
CID 26698161
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide
CID 119944526
2-amino-N-[3-(2-ethoxyethoxymethyl)phenyl]benzamide;hydrochloride
CID 119944525
3-(2,4-dimethylphenyl)-N-[3-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 112767352
1-benzyl-5-chloro-N-[3-(2-ethoxyethoxymethyl)phenyl]-3-methylpyrazole-4-carboxamide
CID 55806857
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267
N'-(2,5-dimethylfuran-3-carbonyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carbohydrazide
CID 26247359
3-(2-methylphenyl)-1-phenyl-N-(1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 29369411
N-[(2S)-2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 41118334
3-(2,4-dimethylphenyl)-N',1-diphenylpyrazole-4-carbohydrazide
CID 78774712

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide (CID 55806762) is N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is CCOCCOCc1cccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)c1.
What is the InChIKey of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
The InChIKey is SCTAFJVMHFMCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O3/c1-3-33-16-17-34-20-22-11-9-12-23(18-22)29-28(32)26-19-31(24-13-5-4-6-14-24)30-27(26)25-15-8-7-10-21(25)2/h4-15,18-19H,3,16-17,20H2,1-2H3,(H,29,32).
What are the key properties of N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide?
N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide has a molecular weight of 455.56 g/mol, XLogP of 5.65, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-ethoxyethoxymethyl)phenyl]-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 55806762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).