N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide

C21H24N4O — CID 166198818

IUPACN-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-23(2)18-12-10-16(11-13-18)15-24(3)21(26)19-14-22-25(4)20(19)17-8-6-5-7-9-17/h5-14H,15H2,1-4H3
InChIKeyXJWORVLZGIRWJC-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.43
Rot. Bonds5

About N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide

N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide (PubChem CID 166198818) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
PubChem CID166198818
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide
SMILESCN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1-c1ccccc1
InChIInChI=1S/C21H24N4O/c1-23(2)18-12-10-16(11-13-18)15-24(3)21(26)19-14-22-25(4)20(19)17-8-6-5-7-9-17/h5-14H,15H2,1-4H3
InChIKeyXJWORVLZGIRWJC-UHFFFAOYSA-N
XLogP3.43
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[methyl-(1-methyl-5-phenylpyrazole-4-carbonyl)amino]propanoic acid
CID 120525069
N-[[4-(dimethylamino)phenyl]methyl]-N,2-dimethyl-6-phenylpyridine-3-carboxamide
CID 43035328
4-[[(1,5-dimethylpyrazole-4-carbonyl)-methylamino]methyl]benzoic acid
CID 60978715
N,1-dimethyl-N-[(2S)-1-methylsulfanylpropan-2-yl]-5-phenylpyrazole-4-carboxamide
CID 97334506
N-[[4-(dimethylamino)phenyl]methyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 78801211
N-[[4-(aminomethyl)phenyl]methyl]-N,1,5-trimethylpyrazole-4-carboxamide
CID 60922468
5-amino-N-[(4-fluorophenyl)methyl]-N,1-dimethylpyrazole-4-carboxamide
CID 115330494
N-[(4-ethylphenyl)methyl]-N,1-dimethyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 38045932
N-[[4-(dimethylamino)phenyl]methyl]-5-ethyl-N-methyl-1-(3-methylphenyl)pyrazole-4-carboxamide
CID 43058783
2-chloro-N-[[4-(dimethylamino)phenyl]methyl]-N-methylpyridine-3-carboxamide
CID 34735177
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 56516472
N-[[4-(dimethylamino)phenyl]methyl]-N-methyl-2-(2-phenoxyethoxy)benzamide
CID 35745385

Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide?
The IUPAC name of N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide (CID 166198818) is N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide is CN(Cc1ccc(N(C)C)cc1)C(=O)c1cnn(C)c1-c1ccccc1.
What is the InChIKey of N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide?
The InChIKey is XJWORVLZGIRWJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-23(2)18-12-10-16(11-13-18)15-24(3)21(26)19-14-22-25(4)20(19)17-8-6-5-7-9-17/h5-14H,15H2,1-4H3.
What are the key properties of N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide?
N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide has a molecular weight of 348.45 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)phenyl]methyl]-N,1-dimethyl-5-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 166198818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).