2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine

C10H13N3O2 — CID 117234270

IUPAC2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine
SMILESCc1ccc(Oc2cnn(CCN)c2)o1
InChIInChI=1S/C10H13N3O2/c1-8-2-3-10(14-8)15-9-6-12-13(7-9)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyDTGVNNITLQMINX-UHFFFAOYSA-N
MW207.23 g/mol
LogP1.54
Rot. Bonds4

About 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine

2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine (PubChem CID 117234270) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine
PubChem CID117234270
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine
SMILESCc1ccc(Oc2cnn(CCN)c2)o1
InChIInChI=1S/C10H13N3O2/c1-8-2-3-10(14-8)15-9-6-12-13(7-9)5-4-11/h2-3,6-7H,4-5,11H2,1H3
InChIKeyDTGVNNITLQMINX-UHFFFAOYSA-N
XLogP1.54
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine (CID 117234270) is 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine is Cc1ccc(Oc2cnn(CCN)c2)o1.
What is the InChIKey of 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine?
The InChIKey is DTGVNNITLQMINX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-8-2-3-10(14-8)15-9-6-12-13(7-9)5-4-11/h2-3,6-7H,4-5,11H2,1H3.
What are the key properties of 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine?
2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine has a molecular weight of 207.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-methylfuran-2-yl)oxypyrazol-1-yl]ethanamine is sourced from PubChem (CID 117234270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).