3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

C19H21N3O2 — CID 30182295

IUPAC3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H21N3O2/c1-14(2)22-18(12-13-20-22)21-19(23)11-9-16-8-10-17(24-16)15-6-4-3-5-7-15/h3-8,10,12-14H,9,11H2,1-2H3,(H,21,23)
InChIKeyIJOYRKVNOLBLAF-UHFFFAOYSA-N
MW323.40 g/mol
LogP4.30
Rot. Bonds6

About 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide

3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (PubChem CID 30182295) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
PubChem CID30182295
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide
SMILESCC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2)o1
InChIInChI=1S/C19H21N3O2/c1-14(2)22-18(12-13-20-22)21-19(23)11-9-16-8-10-17(24-16)15-6-4-3-5-7-15/h3-8,10,12-14H,9,11H2,1-2H3,(H,21,23)
InChIKeyIJOYRKVNOLBLAF-UHFFFAOYSA-N
XLogP4.30
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The IUPAC name of 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide (CID 30182295) is 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide.
What is the SMILES notation for 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The canonical SMILES for 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is CC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2)o1.
What is the InChIKey of 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
The InChIKey is IJOYRKVNOLBLAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-14(2)22-18(12-13-20-22)21-19(23)11-9-16-8-10-17(24-16)15-6-4-3-5-7-15/h3-8,10,12-14H,9,11H2,1-2H3,(H,21,23).
What are the key properties of 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide?
3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 4.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenylfuran-2-yl)-N-(2-propan-2-ylpyrazol-3-yl)propanamide is sourced from PubChem (CID 30182295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).