N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C21H18N4O — CID 20885984

IUPACN-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1
InChIInChI=1S/C21H18N4O/c1-16-9-11-17(12-10-16)23-20(26)19-15-22-25(18-7-3-2-4-8-18)21(19)24-13-5-6-14-24/h2-15H,1H3,(H,23,26)
InChIKeyWZJUQLWJFSTSKM-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.22
Rot. Bonds4

About N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20885984) has the molecular formula C21H18N4O and a molecular weight of 342.40 g/mol. Its IUPAC name is N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20885984
Molecular FormulaC21H18N4O
Molecular Weight342.40 g/mol
Exact Mass342.15
IUPAC NameN-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1
InChIInChI=1S/C21H18N4O/c1-16-9-11-17(12-10-16)23-20(26)19-15-22-25(18-7-3-2-4-8-18)21(19)24-13-5-6-14-24/h2-15H,1H3,(H,23,26)
InChIKeyWZJUQLWJFSTSKM-UHFFFAOYSA-N
XLogP4.22
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936831
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
1-(3-fluorophenyl)-N-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936933
1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 2765904
N-(2-chlorophenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936757
N-(2-ethylphenyl)-1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20936768
N-[2-(dimethylamino)ethyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892553
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928
1-(2-fluorophenyl)-N-pyridin-4-yl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39954053
1-(3-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxylic acid
CID 46261236
N-(5-chloro-2-methoxyphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892594

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20885984) is N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2-n2cccc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is WZJUQLWJFSTSKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O/c1-16-9-11-17(12-10-16)23-20(26)19-15-22-25(18-7-3-2-4-8-18)21(19)24-13-5-6-14-24/h2-15H,1H3,(H,23,26).
What are the key properties of N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20885984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).