2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

C15H22N4OS — CID 17412481

IUPAC2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)s1
InChIInChI=1S/C15H22N4OS/c1-9(2)8-19-12(5)13(11(4)18-19)6-14(20)17-15-16-7-10(3)21-15/h7,9H,6,8H2,1-5H3,(H,16,17,20)
InChIKeyGLAASPOCXUYSNX-UHFFFAOYSA-N
MW306.44 g/mol
LogP3.10
Rot. Bonds5

About 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide

2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (PubChem CID 17412481) has the molecular formula C15H22N4OS and a molecular weight of 306.44 g/mol. Its IUPAC name is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
PubChem CID17412481
Molecular FormulaC15H22N4OS
Molecular Weight306.44 g/mol
Exact Mass306.15
IUPAC Name2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
SMILESCc1cnc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)s1
InChIInChI=1S/C15H22N4OS/c1-9(2)8-19-12(5)13(11(4)18-19)6-14(20)17-15-16-7-10(3)21-15/h7,9H,6,8H2,1-5H3,(H,16,17,20)
InChIKeyGLAASPOCXUYSNX-UHFFFAOYSA-N
XLogP3.10
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.44
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide (CID 17412481) is 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is Cc1cnc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)s1.
What is the InChIKey of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
The InChIKey is GLAASPOCXUYSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4OS/c1-9(2)8-19-12(5)13(11(4)18-19)6-14(20)17-15-16-7-10(3)21-15/h7,9H,6,8H2,1-5H3,(H,16,17,20).
What are the key properties of 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide?
2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide has a molecular weight of 306.44 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 17412481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).