1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine

C11H15N3O — CID 102806873

IUPAC1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine
SMILESCc1nn(C)cc1-c1ccc(C(C)N)o1
InChIInChI=1S/C11H15N3O/c1-7(12)10-4-5-11(15-10)9-6-14(3)13-8(9)2/h4-7H,12H2,1-3H3
InChIKeyIXAWFYNUGVGAAN-UHFFFAOYSA-N
MW205.26 g/mol
LogP2.01
Rot. Bonds2

About 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine

1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine (PubChem CID 102806873) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine
PubChem CID102806873
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine
SMILESCc1nn(C)cc1-c1ccc(C(C)N)o1
InChIInChI=1S/C11H15N3O/c1-7(12)10-4-5-11(15-10)9-6-14(3)13-8(9)2/h4-7H,12H2,1-3H3
InChIKeyIXAWFYNUGVGAAN-UHFFFAOYSA-N
XLogP2.01
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine?
The IUPAC name of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine (CID 102806873) is 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine.
What is the SMILES notation for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine?
The canonical SMILES for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine is Cc1nn(C)cc1-c1ccc(C(C)N)o1.
What is the InChIKey of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine?
The InChIKey is IXAWFYNUGVGAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-7(12)10-4-5-11(15-10)9-6-14(3)13-8(9)2/h4-7H,12H2,1-3H3.
What are the key properties of 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine?
1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine has a molecular weight of 205.26 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,3-dimethylpyrazol-4-yl)furan-2-yl]ethanamine is sourced from PubChem (CID 102806873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).