3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole

C14H12N2O2 — CID 91054617

IUPAC3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole
SMILESC(=Cc1ccco1)c1ccn(Cc2ccco2)n1
InChIInChI=1S/C14H12N2O2/c1-3-13(17-9-1)6-5-12-7-8-16(15-12)11-14-4-2-10-18-14/h1-10H,11H2
InChIKeyKKUJIMOODUXFGB-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.29
Rot. Bonds4

About 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole

3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole (PubChem CID 91054617) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole.

Molecular Properties

Compound Name3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole
PubChem CID91054617
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole
SMILESC(=Cc1ccco1)c1ccn(Cc2ccco2)n1
InChIInChI=1S/C14H12N2O2/c1-3-13(17-9-1)6-5-12-7-8-16(15-12)11-14-4-2-10-18-14/h1-10H,11H2
InChIKeyKKUJIMOODUXFGB-UHFFFAOYSA-N
XLogP3.29
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-[2-(furan-2-yl)ethenyl]phenyl]ethenyl]furan
CID 91360504
2-[5-(furan-2-yl)penta-1,3-dienyl]furan
CID 141170087
1-(furan-2-ylmethyl)pyrrole-3-carbaldehyde
CID 20560360
(E)-2-(furan-2-yl)ethenethiol
CID 87339498
N-[(E)-3-(furan-2-yl)prop-2-enyl]-2-(imidazol-1-ylmethyl)aniline
CID 166189514
2-[(E)-2-phenylethenyl]furan
CID 642118
2-[(Z)-2-naphthalen-1-ylethenyl]furan
CID 12649067
[1-(furan-2-ylmethyl)triazol-4-yl]methanol
CID 62401275
1,5-bis(furan-2-yl)pent-1-en-3-one
CID 76595416
3-(furan-2-ylmethyl)-5-[3-(furan-2-yl)prop-2-enylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 1318685
2-[(E)-2-fluoroethenyl]furan
CID 145208016
2-[(Z)-2-chloroethenyl]furan
CID 11389398

Frequently Asked Questions

What is the IUPAC name of 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole?
The IUPAC name of 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole (CID 91054617) is 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole.
What is the SMILES notation for 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole?
The canonical SMILES for 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole is C(=Cc1ccco1)c1ccn(Cc2ccco2)n1.
What is the InChIKey of 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole?
The InChIKey is KKUJIMOODUXFGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-13(17-9-1)6-5-12-7-8-16(15-12)11-14-4-2-10-18-14/h1-10H,11H2.
What are the key properties of 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole?
3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole has a molecular weight of 240.26 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(furan-2-yl)ethenyl]-1-(furan-2-ylmethyl)pyrazole is sourced from PubChem (CID 91054617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).