3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide

C20H22FN3O2 — CID 134041169

IUPAC3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCC(C)Cn1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H22FN3O2/c1-14(2)13-24-19(11-12-22-24)23-20(25)10-8-15-7-9-18(26-15)16-5-3-4-6-17(16)21/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H,23,25)
InChIKeyXGCXFJWSWMUFLN-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.51
Rot. Bonds7

About 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide

3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide (PubChem CID 134041169) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide
PubChem CID134041169
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide
SMILESCC(C)Cn1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H22FN3O2/c1-14(2)13-24-19(11-12-22-24)23-20(25)10-8-15-7-9-18(26-15)16-5-3-4-6-17(16)21/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H,23,25)
InChIKeyXGCXFJWSWMUFLN-UHFFFAOYSA-N
XLogP4.51
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 54.51
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-(2-methylpropyl)pyrazol-3-yl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide (CID 134041169) is 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide is CC(C)Cn1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide?
The InChIKey is XGCXFJWSWMUFLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-14(2)13-24-19(11-12-22-24)23-20(25)10-8-15-7-9-18(26-15)16-5-3-4-6-17(16)21/h3-7,9,11-12,14H,8,10,13H2,1-2H3,(H,23,25).
What are the key properties of 3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide?
3-[5-(2-fluorophenyl)furan-2-yl]-N-[2-(2-methylpropyl)pyrazol-3-yl]propanamide has a molecular weight of 355.41 g/mol, XLogP of 4.51, 7 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-(2-methylpropyl)pyrazol-3-yl]propanamide is sourced from PubChem (CID 134041169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).