[2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine

C11H15N3O2 — CID 81346323

IUPAC[2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine
SMILESCc1cc(OCc2occc2CN)n(C)n1
InChIInChI=1S/C11H15N3O2/c1-8-5-11(14(2)13-8)16-7-10-9(6-12)3-4-15-10/h3-5H,6-7,12H2,1-2H3
InChIKeyDIXWHULERRBBGK-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.36
Rot. Bonds4

About [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine

[2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine (PubChem CID 81346323) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine.

Molecular Properties

Compound Name[2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine
PubChem CID81346323
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC Name[2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine
SMILESCc1cc(OCc2occc2CN)n(C)n1
InChIInChI=1S/C11H15N3O2/c1-8-5-11(14(2)13-8)16-7-10-9(6-12)3-4-15-10/h3-5H,6-7,12H2,1-2H3
InChIKeyDIXWHULERRBBGK-UHFFFAOYSA-N
XLogP1.36
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine?
The IUPAC name of [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine (CID 81346323) is [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine.
What is the SMILES notation for [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine?
The canonical SMILES for [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine is Cc1cc(OCc2occc2CN)n(C)n1.
What is the InChIKey of [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine?
The InChIKey is DIXWHULERRBBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c1-8-5-11(14(2)13-8)16-7-10-9(6-12)3-4-15-10/h3-5H,6-7,12H2,1-2H3.
What are the key properties of [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine?
[2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine has a molecular weight of 221.26 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2,5-dimethylpyrazol-3-yl)oxymethyl]furan-3-yl]methanamine is sourced from PubChem (CID 81346323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).