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

C13H15F4N5O — CID 71883563

IUPAC2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCc1nccn1C(F)F
InChIInChI=1S/C13H15F4N5O/c1-7-9(8(2)22(20-7)13(16)17)5-11(23)19-6-10-18-3-4-21(10)12(14)15/h3-4,12-13H,5-6H2,1-2H3,(H,19,23)
InChIKeyZSSOCMSUWNZUCI-UHFFFAOYSA-N
MW333.29 g/mol
LogP2.35
Rot. Bonds6

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

2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide (PubChem CID 71883563) has the molecular formula C13H15F4N5O and a molecular weight of 333.29 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
PubChem CID71883563
Molecular FormulaC13H15F4N5O
Molecular Weight333.29 g/mol
Exact Mass333.12
IUPAC Name2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NCc1nccn1C(F)F
InChIInChI=1S/C13H15F4N5O/c1-7-9(8(2)22(20-7)13(16)17)5-11(23)19-6-10-18-3-4-21(10)12(14)15/h3-4,12-13H,5-6H2,1-2H3,(H,19,23)
InChIKeyZSSOCMSUWNZUCI-UHFFFAOYSA-N
XLogP2.35
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]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-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide (CID 71883563) is 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NCc1nccn1C(F)F.
What is the InChIKey of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide?
The InChIKey is ZSSOCMSUWNZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F4N5O/c1-7-9(8(2)22(20-7)13(16)17)5-11(23)19-6-10-18-3-4-21(10)12(14)15/h3-4,12-13H,5-6H2,1-2H3,(H,19,23).
What are the key properties of 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide?
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide has a molecular weight of 333.29 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 71883563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).