3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

C12H14FN5O — CID 59607008

IUPAC3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCC(F)c1nn(C)cc1C(=O)N(C)c1ccnnc1
InChIInChI=1S/C12H14FN5O/c1-8(13)11-10(7-17(2)16-11)12(19)18(3)9-4-5-14-15-6-9/h4-8H,1-3H3
InChIKeyZBOJNOALEOCAGQ-UHFFFAOYSA-N
MW263.28 g/mol
LogP1.52
Rot. Bonds3

About 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide

3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (PubChem CID 59607008) has the molecular formula C12H14FN5O and a molecular weight of 263.28 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
PubChem CID59607008
Molecular FormulaC12H14FN5O
Molecular Weight263.28 g/mol
Exact Mass263.12
IUPAC Name3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide
SMILESCC(F)c1nn(C)cc1C(=O)N(C)c1ccnnc1
InChIInChI=1S/C12H14FN5O/c1-8(13)11-10(7-17(2)16-11)12(19)18(3)9-4-5-14-15-6-9/h4-8H,1-3H3
InChIKeyZBOJNOALEOCAGQ-UHFFFAOYSA-N
XLogP1.52
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.28
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-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-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The IUPAC name of 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide (CID 59607008) is 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide.
What is the SMILES notation for 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The canonical SMILES for 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is CC(F)c1nn(C)cc1C(=O)N(C)c1ccnnc1.
What is the InChIKey of 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
The InChIKey is ZBOJNOALEOCAGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN5O/c1-8(13)11-10(7-17(2)16-11)12(19)18(3)9-4-5-14-15-6-9/h4-8H,1-3H3.
What are the key properties of 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide?
3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide has a molecular weight of 263.28 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-N,1-dimethyl-N-pyridazin-4-ylpyrazole-4-carboxamide is sourced from PubChem (CID 59607008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).