2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide

C20H21FN4O — CID 118560158

IUPAC2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H21FN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26)
InChIKeyAJYBUOXOQNLPET-UHFFFAOYSA-N
MW352.41 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide

2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 118560158) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID118560158
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1
InChIInChI=1S/C20H21FN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26)
InChIKeyAJYBUOXOQNLPET-UHFFFAOYSA-N
XLogP3.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.41
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 2814962
4-fluoro-N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869427
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
CID 126740623
3-fluoro-N-[3-methyl-1-(3-methylbenzyl)-1H-pyrazol-5-yl]benzamide
CID 1510958
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]benzamide
CID 135869416
1-(4-fluorophenyl)-3-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]urea
CID 135869420
N-[4-({4-oxo-2H,4H,5H-pyrazolo[3,4-d]pyrimidin-2-yl}methyl)phenyl]-2-phenylacetamide
CID 135869428
N-(4-cyano-1-phenylpyrazol-5-yl)(2-fluorophenyl)carboxamide
CID 722799
3-fluoro-N-[1-(4-fluorobenzyl)-3-methyl-1H-pyrazol-5-yl]benzamide
CID 1510447
N-(1-methyl-1H-pyrazol-3-yl)-4-nitrobenzamide
CID 4865106

Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 118560158) is 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide is CN(C)c1ccc(CC(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is AJYBUOXOQNLPET-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24(2)18-9-5-15(6-10-18)13-20(26)22-19-11-12-25(23-19)14-16-3-7-17(21)8-4-16/h3-12H,13-14H2,1-2H3,(H,22,23,26).
What are the key properties of 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 352.41 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 118560158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).