5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

C23H22FN5O — CID 46589003

IUPAC5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5O/c1-3-22-21(14-26-29(22)20-10-6-18(24)7-11-20)23(30)27-16(2)17-4-8-19(9-5-17)28-13-12-25-15-28/h4-16H,3H2,1-2H3,(H,27,30)
InChIKeyXGXJAQWEOHQWPZ-UHFFFAOYSA-N
MW403.46 g/mol
LogP4.25
Rot. Bonds6

About 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide

5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (PubChem CID 46589003) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
PubChem CID46589003
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C23H22FN5O/c1-3-22-21(14-26-29(22)20-10-6-18(24)7-11-20)23(30)27-16(2)17-4-8-19(9-5-17)28-13-12-25-15-28/h4-16H,3H2,1-2H3,(H,27,30)
InChIKeyXGXJAQWEOHQWPZ-UHFFFAOYSA-N
XLogP4.25
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-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-[(2S)-1-aminopropan-2-yl]-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide;hydrochloride
CID 120506558
methyl (2S)-2-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]propanoate
CID 87040238
3,5-difluoro-N-[1-(4-imidazol-1-ylphenyl)ethyl]benzamide
CID 43003580
5-ethyl-N-[1-(4-fluorophenyl)ethyl]-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 46589301
1,3-bis[1-(4-imidazol-1-ylphenyl)ethyl]urea
CID 174999274
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 18112960
N-[1-(4-imidazol-1-ylphenyl)ethyl]-2,3-dimethylbenzamide
CID 24819432
1-(4-fluorophenyl)-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]cyclopropane-1-carboxamide
CID 30840348
2-hydroxy-N-[(1S)-1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 31207168
2-hydroxy-N-[1-(4-imidazol-1-ylphenyl)ethyl]-5-methylbenzamide
CID 42905501
N-(2-amino-1-cyclopropylethyl)-5-ethyl-1-(4-fluorophenyl)pyrazole-4-carboxamide
CID 119614350
1-[[5-ethyl-1-(4-fluorophenyl)pyrazole-4-carbonyl]amino]-3-methylurea
CID 86835872

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide (CID 46589003) is 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is CCc1c(C(=O)NC(C)c2ccc(-n3ccnc3)cc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
The InChIKey is XGXJAQWEOHQWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-3-22-21(14-26-29(22)20-10-6-18(24)7-11-20)23(30)27-16(2)17-4-8-19(9-5-17)28-13-12-25-15-28/h4-16H,3H2,1-2H3,(H,27,30).
What are the key properties of 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide?
5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide has a molecular weight of 403.46 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(4-fluorophenyl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 46589003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).