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

C20H22FN3O2 — CID 134041027

IUPACN-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCCC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H22FN3O2/c1-3-14(2)24-19(12-13-22-24)23-20(25)11-9-15-8-10-18(26-15)16-6-4-5-7-17(16)21/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,23,25)
InChIKeyPDBLOXKVMKGMIP-UHFFFAOYSA-N
MW355.41 g/mol
LogP4.82
Rot. Bonds7

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

N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (PubChem CID 134041027) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.

Molecular Properties

Compound NameN-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
PubChem CID134041027
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC NameN-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide
SMILESCCC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1
InChIInChI=1S/C20H22FN3O2/c1-3-14(2)24-19(12-13-22-24)23-20(25)11-9-15-8-10-18(26-15)16-6-4-5-7-17(16)21/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,23,25)
InChIKeyPDBLOXKVMKGMIP-UHFFFAOYSA-N
XLogP4.82
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 ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The IUPAC name of N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide (CID 134041027) is N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide.
What is the SMILES notation for N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The canonical SMILES for N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is CCC(C)n1nccc1NC(=O)CCc1ccc(-c2ccccc2F)o1.
What is the InChIKey of N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
The InChIKey is PDBLOXKVMKGMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-3-14(2)24-19(12-13-22-24)23-20(25)11-9-15-8-10-18(26-15)16-6-4-5-7-17(16)21/h4-8,10,12-14H,3,9,11H2,1-2H3,(H,23,25).
What are the key properties of N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide?
N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide has a molecular weight of 355.41 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-butan-2-ylpyrazol-3-yl)-3-[5-(2-fluorophenyl)furan-2-yl]propanamide is sourced from PubChem (CID 134041027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).