[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine

C11H15N3O — CID 106888840

IUPAC[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCCc1nn(C)cc1-c1ccc(CN)o1
InChIInChI=1S/C11H15N3O/c1-3-10-9(7-14(2)13-10)11-5-4-8(6-12)15-11/h4-5,7H,3,6,12H2,1-2H3
InChIKeyHURRCTPAKUGRRT-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.70
Rot. Bonds3

About [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine

[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine (PubChem CID 106888840) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine
PubChem CID106888840
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine
SMILESCCc1nn(C)cc1-c1ccc(CN)o1
InChIInChI=1S/C11H15N3O/c1-3-10-9(7-14(2)13-10)11-5-4-8(6-12)15-11/h4-5,7H,3,6,12H2,1-2H3
InChIKeyHURRCTPAKUGRRT-UHFFFAOYSA-N
XLogP1.70
TPSA56.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine?
The IUPAC name of [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine (CID 106888840) is [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine.
What is the SMILES notation for [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine?
The canonical SMILES for [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine is CCc1nn(C)cc1-c1ccc(CN)o1.
What is the InChIKey of [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine?
The InChIKey is HURRCTPAKUGRRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c1-3-10-9(7-14(2)13-10)11-5-4-8(6-12)15-11/h4-5,7H,3,6,12H2,1-2H3.
What are the key properties of [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine?
[5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine has a molecular weight of 205.26 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-ethyl-1-methylpyrazol-4-yl)furan-2-yl]methanamine is sourced from PubChem (CID 106888840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).