2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide

C11H9ClF2N4O — CID 83081539

IUPAC2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide
SMILESNc1ccn(CC(=O)Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9ClF2N4O/c12-7-3-6(13)4-8(14)11(7)16-10(19)5-18-2-1-9(15)17-18/h1-4H,5H2,(H2,15,17)(H,16,19)
InChIKeyFDWKBBPHTKNQJQ-UHFFFAOYSA-N
MW286.67 g/mol
LogP2.04
Rot. Bonds3

About 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide (PubChem CID 83081539) has the molecular formula C11H9ClF2N4O and a molecular weight of 286.67 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide
PubChem CID83081539
Molecular FormulaC11H9ClF2N4O
Molecular Weight286.67 g/mol
Exact Mass286.04
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide
SMILESNc1ccn(CC(=O)Nc2c(F)cc(F)cc2Cl)n1
InChIInChI=1S/C11H9ClF2N4O/c12-7-3-6(13)4-8(14)11(7)16-10(19)5-18-2-1-9(15)17-18/h1-4H,5H2,(H2,15,17)(H,16,19)
InChIKeyFDWKBBPHTKNQJQ-UHFFFAOYSA-N
XLogP2.04
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.67
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

2-(3-aminopyrazol-1-yl)-N-(3,4,5-trifluorophenyl)acetamide
CID 62810670
2-(3-aminopyrazol-1-yl)-N-(2-fluoro-4-methylphenyl)acetamide
CID 62102678
2-(3-aminopyrazol-1-yl)-N-(3-chlorophenyl)acetamide
CID 60783120
2-(3-aminopyrazol-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62604621
2-(3-aminopyrazol-1-yl)-N-(4-chloro-2,5-dimethoxyphenyl)acetamide
CID 62102210
2-(3-aminopyrazol-1-yl)-N-(3-cyano-4-fluorophenyl)acetamide
CID 62316767
2-(3-aminopyrazol-1-yl)-N-(3-chloro-4-cyanophenyl)acetamide
CID 55036060
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
2-(3-aminopyrazol-1-yl)-N-(4-methylsulfanylphenyl)acetamide
CID 62102213
N-(2-chloro-4,6-difluorophenyl)-4-oxopentanamide
CID 83088283
2-(3-aminopyrazol-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 55035632
2-(3-aminopyrazol-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)acetamide
CID 63819555

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide (CID 83081539) is 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide is Nc1ccn(CC(=O)Nc2c(F)cc(F)cc2Cl)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide?
The InChIKey is FDWKBBPHTKNQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF2N4O/c12-7-3-6(13)4-8(14)11(7)16-10(19)5-18-2-1-9(15)17-18/h1-4H,5H2,(H2,15,17)(H,16,19).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide has a molecular weight of 286.67 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(2-chloro-4,6-difluorophenyl)acetamide is sourced from PubChem (CID 83081539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).