2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide

C16H21FN4O — CID 72849097

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCN(CCc1cn[nH]c1)C(=O)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C16H21FN4O/c1-20(2)15(13-4-6-14(17)7-5-13)16(22)21(3)9-8-12-10-18-19-11-12/h4-7,10-11,15H,8-9H2,1-3H3,(H,18,19)
InChIKeyAJKQXFJWIJPOEM-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.85
Rot. Bonds6

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

2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (PubChem CID 72849097) has the molecular formula C16H21FN4O and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
PubChem CID72849097
Molecular FormulaC16H21FN4O
Molecular Weight304.37 g/mol
Exact Mass304.17
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide
SMILESCN(CCc1cn[nH]c1)C(=O)C(c1ccc(F)cc1)N(C)C
InChIInChI=1S/C16H21FN4O/c1-20(2)15(13-4-6-14(17)7-5-13)16(22)21(3)9-8-12-10-18-19-11-12/h4-7,10-11,15H,8-9H2,1-3H3,(H,18,19)
InChIKeyAJKQXFJWIJPOEM-UHFFFAOYSA-N
XLogP1.85
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide (CID 72849097) is 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is CN(CCc1cn[nH]c1)C(=O)C(c1ccc(F)cc1)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
The InChIKey is AJKQXFJWIJPOEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O/c1-20(2)15(13-4-6-14(17)7-5-13)16(22)21(3)9-8-12-10-18-19-11-12/h4-7,10-11,15H,8-9H2,1-3H3,(H,18,19).
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide?
2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-N-methyl-N-[2-(1H-pyrazol-4-yl)ethyl]acetamide is sourced from PubChem (CID 72849097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).