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

C18H21N5O — CID 72841553

IUPAC2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCc1ccccc1C(C(=O)NCc1cnn2cccnc12)N(C)C
InChIInChI=1S/C18H21N5O/c1-13-7-4-5-8-15(13)16(22(2)3)18(24)20-11-14-12-21-23-10-6-9-19-17(14)23/h4-10,12,16H,11H2,1-3H3,(H,20,24)
InChIKeyLIZJTLRJELNXBG-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.96
Rot. Bonds5

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

2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (PubChem CID 72841553) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
PubChem CID72841553
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide
SMILESCc1ccccc1C(C(=O)NCc1cnn2cccnc12)N(C)C
InChIInChI=1S/C18H21N5O/c1-13-7-4-5-8-15(13)16(22(2)3)18(24)20-11-14-12-21-23-10-6-9-19-17(14)23/h4-10,12,16H,11H2,1-3H3,(H,20,24)
InChIKeyLIZJTLRJELNXBG-UHFFFAOYSA-N
XLogP1.96
TPSA62.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The IUPAC name of 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide (CID 72841553) is 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is Cc1ccccc1C(C(=O)NCc1cnn2cccnc12)N(C)C.
What is the InChIKey of 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
The InChIKey is LIZJTLRJELNXBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-7-4-5-8-15(13)16(22(2)3)18(24)20-11-14-12-21-23-10-6-9-19-17(14)23/h4-10,12,16H,11H2,1-3H3,(H,20,24).
What are the key properties of 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide?
2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide has a molecular weight of 323.40 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-2-(2-methylphenyl)-N-(pyrazolo[1,5-a]pyrimidin-3-ylmethyl)acetamide is sourced from PubChem (CID 72841553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).