N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide

C21H24N4O — CID 155551859

IUPACN-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(C)c2-c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)18-13-11-17(12-14-18)23-21(26)19-15-22-24(3)20(19)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3,(H,23,26)
InChIKeyGAFHQOMNGLNWLN-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.19
Rot. Bonds6

About N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide

N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide (PubChem CID 155551859) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
PubChem CID155551859
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cnn(C)c2-c2ccccc2)cc1
InChIInChI=1S/C21H24N4O/c1-4-25(5-2)18-13-11-17(12-14-18)23-21(26)19-15-22-24(3)20(19)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3,(H,23,26)
InChIKeyGAFHQOMNGLNWLN-UHFFFAOYSA-N
XLogP4.19
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-[[4-(diethylamino)phenyl]carbamoyl]benzoic acid
CID 730395
N-(3-hydroxy-2-pyridinyl)-1-methyl-5-phenylpyrazole-4-carboxamide
CID 86787813
N-[4-(diethylamino)phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 19414447
3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
N-[4-(diethylamino)phenyl]-2-fluorobenzamide
CID 842943
N-[4-(diethylamino)phenyl]-1-methylpyrazole-4-carboxamide
CID 19474486
1,5-dimethyl-N-phenylpyrazole-4-carboxamide
CID 13031735
2,2-dimethyl-3-[(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120528001
N-[4-(diethylamino)phenyl]-6-phenylpyridazine-3-carboxamide
CID 113200658
N-[4-(diethylamino)phenyl]-3-(2-methoxyethyl)-5-phenyltriazole-4-carboxamide
CID 155520772
5-(diethylamino)-N-phenylpyridine-2-carboxamide
CID 109194733
4-acetamido-N-(1-methyl-5-phenylpyrazol-4-yl)benzamide
CID 110664717

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide (CID 155551859) is N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cnn(C)c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide?
The InChIKey is GAFHQOMNGLNWLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-4-25(5-2)18-13-11-17(12-14-18)23-21(26)19-15-22-24(3)20(19)16-9-7-6-8-10-16/h6-15H,4-5H2,1-3H3,(H,23,26).
What are the key properties of N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide?
N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)phenyl]-1-methyl-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 155551859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).