N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide

C21H24N4O — CID 51101673

IUPACN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESCN(C)Cc1ccccc1CNC(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C21H24N4O/c1-24(2)16-19-12-7-6-11-18(19)15-22-21(26)20(25-14-8-13-23-25)17-9-4-3-5-10-17/h3-14,20H,15-16H2,1-2H3,(H,22,26)
InChIKeyTXCSAWKBYBDYSW-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.85
Rot. Bonds7

About N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide (PubChem CID 51101673) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
PubChem CID51101673
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC NameN-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
SMILESCN(C)Cc1ccccc1CNC(=O)C(c1ccccc1)n1cccn1
InChIInChI=1S/C21H24N4O/c1-24(2)16-19-12-7-6-11-18(19)15-22-21(26)20(25-14-8-13-23-25)17-9-4-3-5-10-17/h3-14,20H,15-16H2,1-2H3,(H,22,26)
InChIKeyTXCSAWKBYBDYSW-UHFFFAOYSA-N
XLogP2.85
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[(2S)-2-hydroxy-2-phenylethyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94822827
N-(2-hydroxy-2-phenylethyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 51103317
(2R)-N-[[4-(carbamoylamino)phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 94782929
N-[(1-methylpyrrolidin-2-yl)methyl]-2-phenyl-2-pyrazol-1-ylacetamide
CID 51104109
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenylpentanamide
CID 60607222
2-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]butanoic acid
CID 119223934
(2S)-N-(3-oxo-3-piperidin-1-ylpropyl)-2-phenyl-2-pyrazol-1-ylacetamide
CID 95280062
3-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methylpropanamide
CID 55104517
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-phenylpropanamide;dihydrochloride
CID 119835445
4-[(2-phenyl-2-pyrazol-1-ylacetyl)amino]cyclohexane-1-carboxylic acid
CID 119230000
2-phenyl-N-(1-propylpiperidin-4-yl)-2-pyrazol-1-ylacetamide
CID 51108379
2-amino-N-[[2-[(dimethylamino)methyl]phenyl]methyl]acetamide;dihydrochloride
CID 119835483

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The IUPAC name of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide (CID 51101673) is N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide is CN(C)Cc1ccccc1CNC(=O)C(c1ccccc1)n1cccn1.
What is the InChIKey of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
The InChIKey is TXCSAWKBYBDYSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-24(2)16-19-12-7-6-11-18(19)15-22-21(26)20(25-14-8-13-23-25)17-9-4-3-5-10-17/h3-14,20H,15-16H2,1-2H3,(H,22,26).
What are the key properties of N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide?
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide has a molecular weight of 348.45 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-phenyl-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 51101673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).