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

C15H22F2N4O2 — CID 48653761

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H22F2N4O2/c1-10-12(11(2)21(19-10)15(16)17)9-13(22)18-6-5-14(23)20-7-3-4-8-20/h15H,3-9H2,1-2H3,(H,18,22)
InChIKeyIZABNVDTTJBDRG-UHFFFAOYSA-N
MW328.36 g/mol
LogP1.57
Rot. Bonds6

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (PubChem CID 48653761) has the molecular formula C15H22F2N4O2 and a molecular weight of 328.36 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
PubChem CID48653761
Molecular FormulaC15H22F2N4O2
Molecular Weight328.36 g/mol
Exact Mass328.17
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCCC(=O)N1CCCC1
InChIInChI=1S/C15H22F2N4O2/c1-10-12(11(2)21(19-10)15(16)17)9-13(22)18-6-5-14(23)20-7-3-4-8-20/h15H,3-9H2,1-2H3,(H,18,22)
InChIKeyIZABNVDTTJBDRG-UHFFFAOYSA-N
XLogP1.57
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.36
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)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-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide (CID 48653761) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCCC(=O)N1CCCC1.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
The InChIKey is IZABNVDTTJBDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N4O2/c1-10-12(11(2)21(19-10)15(16)17)9-13(22)18-6-5-14(23)20-7-3-4-8-20/h15H,3-9H2,1-2H3,(H,18,22).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide has a molecular weight of 328.36 g/mol, XLogP of 1.57, 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-(3-oxo-3-pyrrolidin-1-ylpropyl)acetamide is sourced from PubChem (CID 48653761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).