N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide

C7H6F2N4O — CID 103513781

IUPACN-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide
SMILESCn1ncc(C#N)c1NC(=O)C(F)F
InChIInChI=1S/C7H6F2N4O/c1-13-6(4(2-10)3-11-13)12-7(14)5(8)9/h3,5H,1H3,(H,12,14)
InChIKeyZPEPWAACRQPBHQ-UHFFFAOYSA-N
MW200.15 g/mol
LogP0.50
Rot. Bonds2

About N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide

N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide (PubChem CID 103513781) has the molecular formula C7H6F2N4O and a molecular weight of 200.15 g/mol. Its IUPAC name is N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide
PubChem CID103513781
Molecular FormulaC7H6F2N4O
Molecular Weight200.15 g/mol
Exact Mass200.05
IUPAC NameN-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide
SMILESCn1ncc(C#N)c1NC(=O)C(F)F
InChIInChI=1S/C7H6F2N4O/c1-13-6(4(2-10)3-11-13)12-7(14)5(8)9/h3,5H,1H3,(H,12,14)
InChIKeyZPEPWAACRQPBHQ-UHFFFAOYSA-N
XLogP0.50
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.15
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide 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-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide?
The IUPAC name of N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide (CID 103513781) is N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide.
What is the SMILES notation for N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide?
The canonical SMILES for N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide is Cn1ncc(C#N)c1NC(=O)C(F)F.
What is the InChIKey of N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide?
The InChIKey is ZPEPWAACRQPBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N4O/c1-13-6(4(2-10)3-11-13)12-7(14)5(8)9/h3,5H,1H3,(H,12,14).
What are the key properties of N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide?
N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide has a molecular weight of 200.15 g/mol, XLogP of 0.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyano-1-methylpyrazol-5-yl)-2,2-difluoroacetamide is sourced from PubChem (CID 103513781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).