3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide

C22H27N3O2 — CID 47000140

IUPAC3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)CC(c1ccccc1)c1ccco1
InChIInChI=1S/C22H27N3O2/c1-4-18(5-2)25-22(16(3)15-23-25)24-21(26)14-19(20-12-9-13-27-20)17-10-7-6-8-11-17/h6-13,15,18-19H,4-5,14H2,1-3H3,(H,24,26)
InChIKeyYQRYUECUSJMJOX-UHFFFAOYSA-N
MW365.48 g/mol
LogP5.31
Rot. Bonds8

About 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide

3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide (PubChem CID 47000140) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide
PubChem CID47000140
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide
SMILESCCC(CC)n1ncc(C)c1NC(=O)CC(c1ccccc1)c1ccco1
InChIInChI=1S/C22H27N3O2/c1-4-18(5-2)25-22(16(3)15-23-25)24-21(26)14-19(20-12-9-13-27-20)17-10-7-6-8-11-17/h6-13,15,18-19H,4-5,14H2,1-3H3,(H,24,26)
InChIKeyYQRYUECUSJMJOX-UHFFFAOYSA-N
XLogP5.31
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.48
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide 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-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide?
The IUPAC name of 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide (CID 47000140) is 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide.
What is the SMILES notation for 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide?
The canonical SMILES for 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide is CCC(CC)n1ncc(C)c1NC(=O)CC(c1ccccc1)c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide?
The InChIKey is YQRYUECUSJMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-4-18(5-2)25-22(16(3)15-23-25)24-21(26)14-19(20-12-9-13-27-20)17-10-7-6-8-11-17/h6-13,15,18-19H,4-5,14H2,1-3H3,(H,24,26).
What are the key properties of 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide?
3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide has a molecular weight of 365.48 g/mol, XLogP of 5.31, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-(4-methyl-1-pentan-3-ylpyrazol-5-yl)-3-phenylpropanamide is sourced from PubChem (CID 47000140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).