N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

C24H24N4O — CID 20915222

IUPACN-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3cc(C)cc(C)c3)c2-n2cccc2)cc1
InChIInChI=1S/C24H24N4O/c1-16-7-9-21(10-8-16)28-24(27-11-5-6-12-27)22(19(4)26-28)23(29)25-20-14-17(2)13-18(3)15-20/h5-15H,1-4H3,(H,25,29)
InChIKeyJYGXDHUBLCKQGU-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.15
Rot. Bonds4

About N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915222) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915222
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(-n2nc(C)c(C(=O)Nc3cc(C)cc(C)c3)c2-n2cccc2)cc1
InChIInChI=1S/C24H24N4O/c1-16-7-9-21(10-8-16)28-24(27-11-5-6-12-27)22(19(4)26-28)23(29)25-20-14-17(2)13-18(3)15-20/h5-15H,1-4H3,(H,25,29)
InChIKeyJYGXDHUBLCKQGU-UHFFFAOYSA-N
XLogP5.15
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915121
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915143
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915450
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915528
N-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915237
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
N-(2-methoxyethyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915137
1-(4-fluorophenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915462
3-methyl-1-(4-methylphenyl)-N-(1-phenylethyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915134
3-methyl-N-(3-methylsulfanylphenyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892691
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915153
3-methyl-N-[(4-methylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892672

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915222) is N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1ccc(-n2nc(C)c(C(=O)Nc3cc(C)cc(C)c3)c2-n2cccc2)cc1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is JYGXDHUBLCKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-16-7-9-21(10-8-16)28-24(27-11-5-6-12-27)22(19(4)26-28)23(29)25-20-14-17(2)13-18(3)15-20/h5-15H,1-4H3,(H,25,29).
What are the key properties of N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).