6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

C21H20N4OS — CID 4108275

IUPAC6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccs3)cnn2c(C)c1Cc1ccccc1
InChIInChI=1S/C21H20N4OS/c1-14-18(11-16-7-4-3-5-8-16)15(2)25-20(24-14)19(13-23-25)21(26)22-12-17-9-6-10-27-17/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyOJIWICXIXXKYSP-UHFFFAOYSA-N
MW376.49 g/mol
LogP3.93
Rot. Bonds5

About 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide

6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (PubChem CID 4108275) has the molecular formula C21H20N4OS and a molecular weight of 376.49 g/mol. Its IUPAC name is 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
PubChem CID4108275
Molecular FormulaC21H20N4OS
Molecular Weight376.49 g/mol
Exact Mass376.14
IUPAC Name6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
SMILESCc1nc2c(C(=O)NCc3cccs3)cnn2c(C)c1Cc1ccccc1
InChIInChI=1S/C21H20N4OS/c1-14-18(11-16-7-4-3-5-8-16)15(2)25-20(24-14)19(13-23-25)21(26)22-12-17-9-6-10-27-17/h3-10,13H,11-12H2,1-2H3,(H,22,26)
InChIKeyOJIWICXIXXKYSP-UHFFFAOYSA-N
XLogP3.93
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.49
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The IUPAC name of 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide (CID 4108275) is 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The canonical SMILES for 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is Cc1nc2c(C(=O)NCc3cccs3)cnn2c(C)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
The InChIKey is OJIWICXIXXKYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4OS/c1-14-18(11-16-7-4-3-5-8-16)15(2)25-20(24-14)19(13-23-25)21(26)22-12-17-9-6-10-27-17/h3-10,13H,11-12H2,1-2H3,(H,22,26).
What are the key properties of 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide?
6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide has a molecular weight of 376.49 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5,7-dimethyl-N-(thiophen-2-ylmethyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 4108275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).