1-ethyl-4-(furan-3-ylmethoxy)pyrazole

C10H12N2O2 — CID 116804447

IUPAC1-ethyl-4-(furan-3-ylmethoxy)pyrazole
SMILESCCn1cc(OCc2ccoc2)cn1
InChIInChI=1S/C10H12N2O2/c1-2-12-6-10(5-11-12)14-8-9-3-4-13-7-9/h3-7H,2,8H2,1H3
InChIKeyIXAXLVHIGARHOQ-UHFFFAOYSA-N
MW192.22 g/mol
LogP2.08
Rot. Bonds4

About 1-ethyl-4-(furan-3-ylmethoxy)pyrazole

1-ethyl-4-(furan-3-ylmethoxy)pyrazole (PubChem CID 116804447) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-ethyl-4-(furan-3-ylmethoxy)pyrazole.

Molecular Properties

Compound Name1-ethyl-4-(furan-3-ylmethoxy)pyrazole
PubChem CID116804447
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name1-ethyl-4-(furan-3-ylmethoxy)pyrazole
SMILESCCn1cc(OCc2ccoc2)cn1
InChIInChI=1S/C10H12N2O2/c1-2-12-6-10(5-11-12)14-8-9-3-4-13-7-9/h3-7H,2,8H2,1H3
InChIKeyIXAXLVHIGARHOQ-UHFFFAOYSA-N
XLogP2.08
TPSA40.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-(furan-3-ylmethoxy)pyrazole?
The IUPAC name of 1-ethyl-4-(furan-3-ylmethoxy)pyrazole (CID 116804447) is 1-ethyl-4-(furan-3-ylmethoxy)pyrazole.
What is the SMILES notation for 1-ethyl-4-(furan-3-ylmethoxy)pyrazole?
The canonical SMILES for 1-ethyl-4-(furan-3-ylmethoxy)pyrazole is CCn1cc(OCc2ccoc2)cn1.
What is the InChIKey of 1-ethyl-4-(furan-3-ylmethoxy)pyrazole?
The InChIKey is IXAXLVHIGARHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-12-6-10(5-11-12)14-8-9-3-4-13-7-9/h3-7H,2,8H2,1H3.
What are the key properties of 1-ethyl-4-(furan-3-ylmethoxy)pyrazole?
1-ethyl-4-(furan-3-ylmethoxy)pyrazole has a molecular weight of 192.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-(furan-3-ylmethoxy)pyrazole is sourced from PubChem (CID 116804447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).