3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide

C16H15N3O3 — CID 171137175

IUPAC3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C16H15N3O3/c20-16(4-3-15-2-1-8-22-15)17-6-7-19-11-14(10-18-19)13-5-9-21-12-13/h1-5,8-12H,6-7H2,(H,17,20)
InChIKeyGWENMGIXNHKAKX-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.57
Rot. Bonds6

About 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide

3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide (PubChem CID 171137175) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
PubChem CID171137175
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide
SMILESO=C(C=Cc1ccco1)NCCn1cc(-c2ccoc2)cn1
InChIInChI=1S/C16H15N3O3/c20-16(4-3-15-2-1-8-22-15)17-6-7-19-11-14(10-18-19)13-5-9-21-12-13/h1-5,8-12H,6-7H2,(H,17,20)
InChIKeyGWENMGIXNHKAKX-UHFFFAOYSA-N
XLogP2.57
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide?
The IUPAC name of 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide (CID 171137175) is 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide?
The canonical SMILES for 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide is O=C(C=Cc1ccco1)NCCn1cc(-c2ccoc2)cn1.
What is the InChIKey of 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide?
The InChIKey is GWENMGIXNHKAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c20-16(4-3-15-2-1-8-22-15)17-6-7-19-11-14(10-18-19)13-5-9-21-12-13/h1-5,8-12H,6-7H2,(H,17,20).
What are the key properties of 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide?
3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide has a molecular weight of 297.31 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-[4-(furan-3-yl)pyrazol-1-yl]ethyl]prop-2-enamide is sourced from PubChem (CID 171137175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).