N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide

C13H17N3O2 — CID 46339450

IUPACN-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCCc2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-11-5-8-16(15-11)9-6-13(17)14-7-4-12-3-2-10-18-12/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,14,17)
InChIKeyIAWLFDIVDMVGKK-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.53
Rot. Bonds6

About N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide

N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide (PubChem CID 46339450) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
PubChem CID46339450
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide
SMILESCc1ccn(CCC(=O)NCCc2ccco2)n1
InChIInChI=1S/C13H17N3O2/c1-11-5-8-16(15-11)9-6-13(17)14-7-4-12-3-2-10-18-12/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,14,17)
InChIKeyIAWLFDIVDMVGKK-UHFFFAOYSA-N
XLogP1.53
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
The IUPAC name of N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide (CID 46339450) is N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide.
What is the SMILES notation for N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
The canonical SMILES for N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide is Cc1ccn(CCC(=O)NCCc2ccco2)n1.
What is the InChIKey of N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
The InChIKey is IAWLFDIVDMVGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-11-5-8-16(15-11)9-6-13(17)14-7-4-12-3-2-10-18-12/h2-3,5,8,10H,4,6-7,9H2,1H3,(H,14,17).
What are the key properties of N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide?
N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide has a molecular weight of 247.30 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)ethyl]-3-(3-methylpyrazol-1-yl)propanamide is sourced from PubChem (CID 46339450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).