2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide

C16H23F2N5O — CID 46995716

IUPAC2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C16H23F2N5O/c1-5-12(6-2)23-14(7-10(3)20-23)19-15(24)9-22-11(4)8-13(21-22)16(17)18/h7-8,12,16H,5-6,9H2,1-4H3,(H,19,24)
InChIKeyRSQPUGLXTBEIJV-UHFFFAOYSA-N
MW339.39 g/mol
LogP3.63
Rot. Bonds7

About 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide

2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide (PubChem CID 46995716) has the molecular formula C16H23F2N5O and a molecular weight of 339.39 g/mol. Its IUPAC name is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide
PubChem CID46995716
Molecular FormulaC16H23F2N5O
Molecular Weight339.39 g/mol
Exact Mass339.19
IUPAC Name2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide
SMILESCCC(CC)n1nc(C)cc1NC(=O)Cn1nc(C(F)F)cc1C
InChIInChI=1S/C16H23F2N5O/c1-5-12(6-2)23-14(7-10(3)20-23)19-15(24)9-22-11(4)8-13(21-22)16(17)18/h7-8,12,16H,5-6,9H2,1-4H3,(H,19,24)
InChIKeyRSQPUGLXTBEIJV-UHFFFAOYSA-N
XLogP3.63
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide?
The IUPAC name of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide (CID 46995716) is 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide is CCC(CC)n1nc(C)cc1NC(=O)Cn1nc(C(F)F)cc1C.
What is the InChIKey of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide?
The InChIKey is RSQPUGLXTBEIJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F2N5O/c1-5-12(6-2)23-14(7-10(3)20-23)19-15(24)9-22-11(4)8-13(21-22)16(17)18/h7-8,12,16H,5-6,9H2,1-4H3,(H,19,24).
What are the key properties of 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide?
2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide has a molecular weight of 339.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(5-methyl-2-pentan-3-ylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46995716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).