N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide

C7H10FN3O — CID 170408949

IUPACN-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide
SMILESCc1cc(NC(=O)CF)nn1C
InChIInChI=1S/C7H10FN3O/c1-5-3-6(10-11(5)2)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyWAFPLHIMBJAAMD-UHFFFAOYSA-N
MW171.17 g/mol
LogP0.64
Rot. Bonds2

About N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide

N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide (PubChem CID 170408949) has the molecular formula C7H10FN3O and a molecular weight of 171.17 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide
PubChem CID170408949
Molecular FormulaC7H10FN3O
Molecular Weight171.17 g/mol
Exact Mass171.08
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide
SMILESCc1cc(NC(=O)CF)nn1C
InChIInChI=1S/C7H10FN3O/c1-5-3-6(10-11(5)2)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,10,12)
InChIKeyWAFPLHIMBJAAMD-UHFFFAOYSA-N
XLogP0.64
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.17
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide 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-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide (CID 170408949) is N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide is Cc1cc(NC(=O)CF)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide?
The InChIKey is WAFPLHIMBJAAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10FN3O/c1-5-3-6(10-11(5)2)9-7(12)4-8/h3H,4H2,1-2H3,(H,9,10,12).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide?
N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide has a molecular weight of 171.17 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-2-fluoroacetamide is sourced from PubChem (CID 170408949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).