N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide

C13H13F2N3O — CID 95045828

IUPACN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3O/c1-8-6-16-18(13(8)17-9(2)19)7-10-5-11(14)3-4-12(10)15/h3-6H,7H2,1-2H3,(H,17,19)
InChIKeyATNCKPUBWKBSLV-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.48
Rot. Bonds3

About N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide

N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide (PubChem CID 95045828) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide.

Molecular Properties

Compound NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide
PubChem CID95045828
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC NameN-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide
SMILESCC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F
InChIInChI=1S/C13H13F2N3O/c1-8-6-16-18(13(8)17-9(2)19)7-10-5-11(14)3-4-12(10)15/h3-6H,7H2,1-2H3,(H,17,19)
InChIKeyATNCKPUBWKBSLV-UHFFFAOYSA-N
XLogP2.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-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 N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The IUPAC name of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide (CID 95045828) is N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide.
What is the SMILES notation for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The canonical SMILES for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide is CC(=O)Nc1c(C)cnn1Cc1cc(F)ccc1F.
What is the InChIKey of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
The InChIKey is ATNCKPUBWKBSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c1-8-6-16-18(13(8)17-9(2)19)7-10-5-11(14)3-4-12(10)15/h3-6H,7H2,1-2H3,(H,17,19).
What are the key properties of N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide?
N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide has a molecular weight of 265.26 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2,5-difluorophenyl)methyl]-4-methylpyrazol-5-yl]acetamide is sourced from PubChem (CID 95045828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).