2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide

C20H21FN4O — CID 50985161

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(C)C(C(=O)NCc1ccccc1-n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-24(2)19(15-8-10-17(21)11-9-15)20(26)22-14-16-6-3-4-7-18(16)25-13-5-12-23-25/h3-13,19H,14H2,1-2H3,(H,22,26)
InChIKeyVITPSNJSJQUNNZ-UHFFFAOYSA-N
MW352.41 g/mol
LogP2.93
Rot. Bonds6

About 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide

2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (PubChem CID 50985161) has the molecular formula C20H21FN4O and a molecular weight of 352.41 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
PubChem CID50985161
Molecular FormulaC20H21FN4O
Molecular Weight352.41 g/mol
Exact Mass352.17
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide
SMILESCN(C)C(C(=O)NCc1ccccc1-n1cccn1)c1ccc(F)cc1
InChIInChI=1S/C20H21FN4O/c1-24(2)19(15-8-10-17(21)11-9-15)20(26)22-14-16-6-3-4-7-18(16)25-13-5-12-23-25/h3-13,19H,14H2,1-2H3,(H,22,26)
InChIKeyVITPSNJSJQUNNZ-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide (CID 50985161) is 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide is CN(C)C(C(=O)NCc1ccccc1-n1cccn1)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
The InChIKey is VITPSNJSJQUNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O/c1-24(2)19(15-8-10-17(21)11-9-15)20(26)22-14-16-6-3-4-7-18(16)25-13-5-12-23-25/h3-13,19H,14H2,1-2H3,(H,22,26).
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide?
2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide has a molecular weight of 352.41 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-N-[(2-pyrazol-1-ylphenyl)methyl]acetamide is sourced from PubChem (CID 50985161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).