3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide

C8H9FN4O — CID 169218283

IUPAC3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(C(C)F)nc1C#N
InChIInChI=1S/C8H9FN4O/c1-5(9)13-4-6(8(14)11-2)7(3-10)12-13/h4-5H,1-2H3,(H,11,14)
InChIKeyMAWCXDQFZJEIDN-UHFFFAOYSA-N
MW196.18 g/mol
LogP0.60
Rot. Bonds2

About 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide

3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide (PubChem CID 169218283) has the molecular formula C8H9FN4O and a molecular weight of 196.18 g/mol. Its IUPAC name is 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide
PubChem CID169218283
Molecular FormulaC8H9FN4O
Molecular Weight196.18 g/mol
Exact Mass196.08
IUPAC Name3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide
SMILESCNC(=O)c1cn(C(C)F)nc1C#N
InChIInChI=1S/C8H9FN4O/c1-5(9)13-4-6(8(14)11-2)7(3-10)12-13/h4-5H,1-2H3,(H,11,14)
InChIKeyMAWCXDQFZJEIDN-UHFFFAOYSA-N
XLogP0.60
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide 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 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide?
The IUPAC name of 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide (CID 169218283) is 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide.
What is the SMILES notation for 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide?
The canonical SMILES for 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide is CNC(=O)c1cn(C(C)F)nc1C#N.
What is the InChIKey of 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide?
The InChIKey is MAWCXDQFZJEIDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O/c1-5(9)13-4-6(8(14)11-2)7(3-10)12-13/h4-5H,1-2H3,(H,11,14).
What are the key properties of 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide?
3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide has a molecular weight of 196.18 g/mol, XLogP of 0.60, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-1-(1-fluoroethyl)-N-methylpyrazole-4-carboxamide is sourced from PubChem (CID 169218283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).