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

C21H23FN4O — CID 72837815

IUPAC2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCc1ccccc1-n1cc(CNC(=O)C(c2cccc(F)c2)N(C)C)cn1
InChIInChI=1S/C21H23FN4O/c1-15-7-4-5-10-19(15)26-14-16(13-24-26)12-23-21(27)20(25(2)3)17-8-6-9-18(22)11-17/h4-11,13-14,20H,12H2,1-3H3,(H,23,27)
InChIKeyLPXSMJKIMAUUHZ-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.24
Rot. Bonds6

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

2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide (PubChem CID 72837815) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide
PubChem CID72837815
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide
SMILESCc1ccccc1-n1cc(CNC(=O)C(c2cccc(F)c2)N(C)C)cn1
InChIInChI=1S/C21H23FN4O/c1-15-7-4-5-10-19(15)26-14-16(13-24-26)12-23-21(27)20(25(2)3)17-8-6-9-18(22)11-17/h4-11,13-14,20H,12H2,1-3H3,(H,23,27)
InChIKeyLPXSMJKIMAUUHZ-UHFFFAOYSA-N
XLogP3.24
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide (CID 72837815) is 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide is Cc1ccccc1-n1cc(CNC(=O)C(c2cccc(F)c2)N(C)C)cn1.
What is the InChIKey of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide?
The InChIKey is LPXSMJKIMAUUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c1-15-7-4-5-10-19(15)26-14-16(13-24-26)12-23-21(27)20(25(2)3)17-8-6-9-18(22)11-17/h4-11,13-14,20H,12H2,1-3H3,(H,23,27).
What are the key properties of 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide?
2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide has a molecular weight of 366.44 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(3-fluorophenyl)-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]acetamide is sourced from PubChem (CID 72837815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).