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

C22H24N4O3 — CID 46884873

IUPACN-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-19-11-9-17(10-12-19)21(27)23-13-14-24-22(28)20-15-26(25-16(20)2)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXHNAUJZGEIMAMV-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.74
Rot. Bonds8

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

N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 46884873) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID46884873
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC NameN-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
SMILESCCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C)cc1
InChIInChI=1S/C22H24N4O3/c1-3-29-19-11-9-17(10-12-19)21(27)23-13-14-24-22(28)20-15-26(25-16(20)2)18-7-5-4-6-8-18/h4-12,15H,3,13-14H2,1-2H3,(H,23,27)(H,24,28)
InChIKeyXHNAUJZGEIMAMV-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'}

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Related Compounds

4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
CID 2352168
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde
CID 792340
(2S)-3-cyclohexyl-N-{2-[(4-methoxyphenyl)amino]ethyl}-2-[(5-methyl-1-phenyl-1H-pyrazol-4-yl)formamido]propanamide
CID 23648343
4-methoxy-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869417
N-ethyl-3-(1-methyltriazol-4-yl)-4-[(1S)-1-phenylethoxy]benzamide
CID 155818569
5-(2-ethoxyethoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 57400556
3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N-(4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850331
N-(3-methoxyphenyl)-5-methyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 850352
N-benzyl-1-(2-cyanoethyl)-3-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 2529498
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 46884873) is N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide is CCOc1ccc(C(=O)NCCNC(=O)c2cn(-c3ccccc3)nc2C)cc1.
What is the InChIKey of N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is XHNAUJZGEIMAMV-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)20-15-26(25-16(20)2)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]-3-methyl-1-phenylpyrazole-4-carboxamide?
N-[2-[(4-ethoxybenzoyl)amino]ethyl]-3-methyl-1-phenylpyrazole-4-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]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 46884873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).