2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

C17H18FN5O — CID 72860295

IUPAC2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCN(C)C(C(=O)NCc1cnn2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C17H18FN5O/c1-22(2)15(12-4-6-14(18)7-5-12)17(24)20-10-13-11-21-23-9-3-8-19-16(13)23/h3-9,11,15H,10H2,1-2H3,(H,20,24)
InChIKeyUQIKOFSHZIXGGG-UHFFFAOYSA-N
MW327.36 g/mol
LogP1.79
Rot. Bonds5

About 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide

2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (PubChem CID 72860295) has the molecular formula C17H18FN5O and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
PubChem CID72860295
Molecular FormulaC17H18FN5O
Molecular Weight327.36 g/mol
Exact Mass327.15
IUPAC Name2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCN(C)C(C(=O)NCc1cnn2cccnc12)c1ccc(F)cc1
InChIInChI=1S/C17H18FN5O/c1-22(2)15(12-4-6-14(18)7-5-12)17(24)20-10-13-11-21-23-9-3-8-19-16(13)23/h3-9,11,15H,10H2,1-2H3,(H,20,24)
InChIKeyUQIKOFSHZIXGGG-UHFFFAOYSA-N
XLogP1.79
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (CID 72860295) is 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is CN(C)C(C(=O)NCc1cnn2cccnc12)c1ccc(F)cc1.
What is the InChIKey of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The InChIKey is UQIKOFSHZIXGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O/c1-22(2)15(12-4-6-14(18)7-5-12)17(24)20-10-13-11-21-23-9-3-8-19-16(13)23/h3-9,11,15H,10H2,1-2H3,(H,20,24).
What are the key properties of 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide has a molecular weight of 327.36 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(4-fluorophenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is sourced from PubChem (CID 72860295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).