N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C23H22N4O — CID 20936768

IUPACN-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C23H22N4O/c1-3-18-10-4-5-12-21(18)25-22(28)20-16-24-27(19-11-8-9-17(2)15-19)23(20)26-13-6-7-14-26/h4-16H,3H2,1-2H3,(H,25,28)
InChIKeyHBCWOKFWHWRRHZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.79
Rot. Bonds5

About N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20936768) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20936768
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC NameN-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1
InChIInChI=1S/C23H22N4O/c1-3-18-10-4-5-12-21(18)25-22(28)20-16-24-27(19-11-8-9-17(2)15-19)23(20)26-13-6-7-14-26/h4-16H,3H2,1-2H3,(H,25,28)
InChIKeyHBCWOKFWHWRRHZ-UHFFFAOYSA-N
XLogP4.79
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-butan-2-yl-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936756
N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 53015687
N-[2-(dipropylamino)ethyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936842
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20885984
N-(2-bromophenyl)-1-(3-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936864
1-(3-methylphenyl)-3-(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)urea
CID 11428281
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936812
5-methyl-1-(3-methylphenyl)-N-(2-methylsulfanylphenyl)pyrazole-4-carboxamide
CID 36704468

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20936768) is N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is CCc1ccccc1NC(=O)c1cnn(-c2cccc(C)c2)c1-n1cccc1.
What is the InChIKey of N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is HBCWOKFWHWRRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O/c1-3-18-10-4-5-12-21(18)25-22(28)20-16-24-27(19-11-8-9-17(2)15-19)23(20)26-13-6-7-14-26/h4-16H,3H2,1-2H3,(H,25,28).
What are the key properties of N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 370.46 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20936768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).