4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide

C12H9F5N4O2 — CID 142469774

IUPAC4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccnc2)cc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F5N4O2/c13-11(14,12(15,16)17)6-23-8-5-21(20-9(8)10(18)22)7-2-1-3-19-4-7/h1-5H,6H2,(H2,18,22)
InChIKeyOFJQFKGFITXYJM-UHFFFAOYSA-N
MW336.22 g/mol
LogP1.94
Rot. Bonds5

About 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide

4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide (PubChem CID 142469774) has the molecular formula C12H9F5N4O2 and a molecular weight of 336.22 g/mol. Its IUPAC name is 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide
PubChem CID142469774
Molecular FormulaC12H9F5N4O2
Molecular Weight336.22 g/mol
Exact Mass336.06
IUPAC Name4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2cccnc2)cc1OCC(F)(F)C(F)(F)F
InChIInChI=1S/C12H9F5N4O2/c13-11(14,12(15,16)17)6-23-8-5-21(20-9(8)10(18)22)7-2-1-3-19-4-7/h1-5H,6H2,(H2,18,22)
InChIKeyOFJQFKGFITXYJM-UHFFFAOYSA-N
XLogP1.94
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-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 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide?
The IUPAC name of 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide (CID 142469774) is 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide is NC(=O)c1nn(-c2cccnc2)cc1OCC(F)(F)C(F)(F)F.
What is the InChIKey of 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide?
The InChIKey is OFJQFKGFITXYJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N4O2/c13-11(14,12(15,16)17)6-23-8-5-21(20-9(8)10(18)22)7-2-1-3-19-4-7/h1-5H,6H2,(H2,18,22).
What are the key properties of 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide?
4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide has a molecular weight of 336.22 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3,3-pentafluoropropoxy)-1-pyridin-3-ylpyrazole-3-carboxamide is sourced from PubChem (CID 142469774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).