1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol

C10H13N3O2 — CID 83176173

IUPAC1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol
SMILESCn1ncc(C(O)Cc2ccoc2)c1N
InChIInChI=1S/C10H13N3O2/c1-13-10(11)8(5-12-13)9(14)4-7-2-3-15-6-7/h2-3,5-6,9,14H,4,11H2,1H3
InChIKeyOCLFGXDOMFAXMY-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.87
Rot. Bonds3

About 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol

1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol (PubChem CID 83176173) has the molecular formula C10H13N3O2 and a molecular weight of 207.23 g/mol. Its IUPAC name is 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol
PubChem CID83176173
Molecular FormulaC10H13N3O2
Molecular Weight207.23 g/mol
Exact Mass207.10
IUPAC Name1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol
SMILESCn1ncc(C(O)Cc2ccoc2)c1N
InChIInChI=1S/C10H13N3O2/c1-13-10(11)8(5-12-13)9(14)4-7-2-3-15-6-7/h2-3,5-6,9,14H,4,11H2,1H3
InChIKeyOCLFGXDOMFAXMY-UHFFFAOYSA-N
XLogP0.87
TPSA77.21 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol?
The IUPAC name of 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol (CID 83176173) is 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol.
What is the SMILES notation for 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol?
The canonical SMILES for 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol is Cn1ncc(C(O)Cc2ccoc2)c1N.
What is the InChIKey of 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol?
The InChIKey is OCLFGXDOMFAXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O2/c1-13-10(11)8(5-12-13)9(14)4-7-2-3-15-6-7/h2-3,5-6,9,14H,4,11H2,1H3.
What are the key properties of 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol?
1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol has a molecular weight of 207.23 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1-methylpyrazol-4-yl)-2-(furan-3-yl)ethanol is sourced from PubChem (CID 83176173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).