N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide

C21H24N4O — CID 78811414

IUPACN-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H24N4O/c1-23(2)15-16-24(17-18-7-4-3-5-8-18)21(26)19-9-11-20(12-10-19)25-14-6-13-22-25/h3-14H,15-17H2,1-2H3
InChIKeyXBNLCUVKHUJVPB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.08
Rot. Bonds7

About N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide

N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide (PubChem CID 78811414) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
PubChem CID78811414
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide
SMILESCN(C)CCN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C21H24N4O/c1-23(2)15-16-24(17-18-7-4-3-5-8-18)21(26)19-9-11-20(12-10-19)25-14-6-13-22-25/h3-14H,15-17H2,1-2H3
InChIKeyXBNLCUVKHUJVPB-UHFFFAOYSA-N
XLogP3.08
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
1-benzyl-1-[2-(dimethylamino)ethyl]-3-[4-pyrazol-1-yl-2-(trifluoromethyl)phenyl]urea
CID 47033764
2-[2,2-dimethylpropyl-(4-pyrazol-1-ylbenzoyl)amino]acetic acid
CID 138032285
N-methyl-4-pyrazol-1-yl-N-(thiophen-3-ylmethyl)benzamide
CID 18117310
N-methyl-4-(1H-pyrazol-5-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56882809
2-methyl-2-[methyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 62820545
4-(2-hydroxyethylsulfanyl)-N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]benzamide
CID 56896332
N-benzyl-N-[2-(dimethylamino)ethyl]imidazole-1-carboxamide
CID 81257866
2-[propyl-[(4-pyrazol-1-ylphenyl)methyl]amino]acetic acid
CID 61006750
3-[ethyl-[(4-pyrazol-1-ylphenyl)methyl]amino]propanoic acid
CID 61010480
N-methyl-4-pyrazol-1-yl-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 134047405
N-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]-4-[(3R)-pyrrolidin-3-yl]benzamide
CID 95862314

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide?
The IUPAC name of N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide (CID 78811414) is N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide?
The canonical SMILES for N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide is CN(C)CCN(Cc1ccccc1)C(=O)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide?
The InChIKey is XBNLCUVKHUJVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-23(2)15-16-24(17-18-7-4-3-5-8-18)21(26)19-9-11-20(12-10-19)25-14-6-13-22-25/h3-14H,15-17H2,1-2H3.
What are the key properties of N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide?
N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide has a molecular weight of 348.45 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-[2-(dimethylamino)ethyl]-4-pyrazol-1-ylbenzamide is sourced from PubChem (CID 78811414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).