N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

C23H21FN4O — CID 20915528

IUPACN-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c(C)c1
InChIInChI=1S/C23H21FN4O/c1-15-6-11-20(16(2)14-15)25-22(29)21-17(3)26-28(19-9-7-18(24)8-10-19)23(21)27-12-4-5-13-27/h4-14H,1-3H3,(H,25,29)
InChIKeyQMVKPNJQHWDHCK-UHFFFAOYSA-N
MW388.45 g/mol
LogP4.98
Rot. Bonds4

About N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide

N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (PubChem CID 20915528) has the molecular formula C23H21FN4O and a molecular weight of 388.45 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
PubChem CID20915528
Molecular FormulaC23H21FN4O
Molecular Weight388.45 g/mol
Exact Mass388.17
IUPAC NameN-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
SMILESCc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c(C)c1
InChIInChI=1S/C23H21FN4O/c1-15-6-11-20(16(2)14-15)25-22(29)21-17(3)26-28(19-9-7-18(24)8-10-19)23(21)27-12-4-5-13-27/h4-14H,1-3H3,(H,25,29)
InChIKeyQMVKPNJQHWDHCK-UHFFFAOYSA-N
XLogP4.98
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-(2-methoxyphenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915543
N-(3-fluorophenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915450
N-(4-fluorophenyl)-3-methyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20892669
N-(3,5-dimethylphenyl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915222
1-(4-fluorophenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915462
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
N-benzyl-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915518
1-(4-fluorophenyl)-N-(2-methoxyethyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915461
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
5-chloro-N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxamide
CID 9097679
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915143
1-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915535

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide (CID 20915528) is N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is Cc1ccc(NC(=O)c2c(C)nn(-c3ccc(F)cc3)c2-n2cccc2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
The InChIKey is QMVKPNJQHWDHCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O/c1-15-6-11-20(16(2)14-15)25-22(29)21-17(3)26-28(19-9-7-18(24)8-10-19)23(21)27-12-4-5-13-27/h4-14H,1-3H3,(H,25,29).
What are the key properties of N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide?
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide has a molecular weight of 388.45 g/mol, XLogP of 4.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-3-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide is sourced from PubChem (CID 20915528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).