N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide

C12H9F5N4O — CID 58270477

IUPACN-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H9F5N4O/c13-11(14,12(15,16)17)7-19-10(22)8-4-20-21(6-8)9-2-1-3-18-5-9/h1-6H,7H2,(H,19,22)
InChIKeyZENPPUYKIUKKEL-UHFFFAOYSA-N
MW320.22 g/mol
LogP2.19
Rot. Bonds4

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

N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 58270477) has the molecular formula C12H9F5N4O and a molecular weight of 320.22 g/mol. Its IUPAC name is N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID58270477
Molecular FormulaC12H9F5N4O
Molecular Weight320.22 g/mol
Exact Mass320.07
IUPAC NameN-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESO=C(NCC(F)(F)C(F)(F)F)c1cnn(-c2cccnc2)c1
InChIInChI=1S/C12H9F5N4O/c13-11(14,12(15,16)17)7-19-10(22)8-4-20-21(6-8)9-2-1-3-18-5-9/h1-6H,7H2,(H,19,22)
InChIKeyZENPPUYKIUKKEL-UHFFFAOYSA-N
XLogP2.19
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.22
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-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 N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide (CID 58270477) is N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide is O=C(NCC(F)(F)C(F)(F)F)c1cnn(-c2cccnc2)c1.
What is the InChIKey of N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is ZENPPUYKIUKKEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F5N4O/c13-11(14,12(15,16)17)7-19-10(22)8-4-20-21(6-8)9-2-1-3-18-5-9/h1-6H,7H2,(H,19,22).
What are the key properties of N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide?
N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 320.22 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2,3,3,3-pentafluoropropyl)-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 58270477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).