3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C19H20FN3O2 — CID 30184571

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H20FN3O2/c1-13(2)23-18(11-12-21-23)22-19(24)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,24)
InChIKeyZWSMBQYOUZNULF-UHFFFAOYSA-N
MW341.39 g/mol
LogP4.43
Rot. Bonds6

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30184571) has the molecular formula C19H20FN3O2 and a molecular weight of 341.39 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30184571
Molecular FormulaC19H20FN3O2
Molecular Weight341.39 g/mol
Exact Mass341.15
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C19H20FN3O2/c1-13(2)23-18(11-12-21-23)22-19(24)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,24)
InChIKeyZWSMBQYOUZNULF-UHFFFAOYSA-N
XLogP4.43
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30184571) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is ZWSMBQYOUZNULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O2/c1-13(2)23-18(11-12-21-23)22-19(24)10-8-14-7-9-17(25-14)15-5-3-4-6-16(15)20/h3-7,9,11-13H,8,10H2,1-2H3,(H,22,24).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 341.39 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)furan-2-yl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30184571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).