N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide

C22H24N4O3 — CID 46884874

IUPACN-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2nn(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-19-11-9-17(10-12-19)21(27)23-13-14-24-22(28)20-16(2)15-26(25-20)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBKQOJGQIHOPOAJ-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.74
Rot. Bonds8

About N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide

N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide (PubChem CID 46884874) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide
PubChem CID46884874
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2nn(-c3ccccc3)cc2C)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-19-11-9-17(10-12-19)21(27)23-13-14-24-22(28)20-16(2)15-26(25-20)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyBKQOJGQIHOPOAJ-UHFFFAOYSA-N
XLogP2.74
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide (CID 46884874) is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide is CCOc1ccc(C(=O)NCCNC(=O)c2nn(-c3ccccc3)cc2C)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide?
The InChIKey is BKQOJGQIHOPOAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-3-29-19-11-9-17(10-12-19)21(27)23-13-14-24-22(28)20-16(2)15-26(25-20)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28).
What are the key properties of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide?
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-4-methyl-1-phenylpyrazole-3-carboxamide is sourced from PubChem (CID 46884874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).