2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide

C16H26F2N4O — CID 48661806

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C16H26F2N4O/c1-11(21-7-5-4-6-8-21)10-19-15(23)9-14-12(2)20-22(13(14)3)16(17)18/h11,16H,4-10H2,1-3H3,(H,19,23)
InChIKeyAGRBUPXNJSTCPJ-UHFFFAOYSA-N
MW328.41 g/mol
LogP2.43
Rot. Bonds6

About 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide (PubChem CID 48661806) has the molecular formula C16H26F2N4O and a molecular weight of 328.41 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
PubChem CID48661806
Molecular FormulaC16H26F2N4O
Molecular Weight328.41 g/mol
Exact Mass328.21
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCC(C)N1CCCCC1
InChIInChI=1S/C16H26F2N4O/c1-11(21-7-5-4-6-8-21)10-19-15(23)9-14-12(2)20-22(13(14)3)16(17)18/h11,16H,4-10H2,1-3H3,(H,19,23)
InChIKeyAGRBUPXNJSTCPJ-UHFFFAOYSA-N
XLogP2.43
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.41
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide (CID 48661806) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCC(C)N1CCCCC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
The InChIKey is AGRBUPXNJSTCPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26F2N4O/c1-11(21-7-5-4-6-8-21)10-19-15(23)9-14-12(2)20-22(13(14)3)16(17)18/h11,16H,4-10H2,1-3H3,(H,19,23).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide has a molecular weight of 328.41 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(2-piperidin-1-ylpropyl)acetamide is sourced from PubChem (CID 48661806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).