1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine

C16H23N3O2 — CID 71929090

IUPAC1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCCn1cc(C2OCCC2CNCc2occc2C)cn1
InChIInChI=1S/C16H23N3O2/c1-3-19-11-14(9-18-19)16-13(5-7-21-16)8-17-10-15-12(2)4-6-20-15/h4,6,9,11,13,16-17H,3,5,7-8,10H2,1-2H3
InChIKeyYXNWYOKUVBAHIS-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.67
Rot. Bonds6

About 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine

1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine (PubChem CID 71929090) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine
PubChem CID71929090
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine
SMILESCCn1cc(C2OCCC2CNCc2occc2C)cn1
InChIInChI=1S/C16H23N3O2/c1-3-19-11-14(9-18-19)16-13(5-7-21-16)8-17-10-15-12(2)4-6-20-15/h4,6,9,11,13,16-17H,3,5,7-8,10H2,1-2H3
InChIKeyYXNWYOKUVBAHIS-UHFFFAOYSA-N
XLogP2.67
TPSA52.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine (CID 71929090) is 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine is CCn1cc(C2OCCC2CNCc2occc2C)cn1.
What is the InChIKey of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine?
The InChIKey is YXNWYOKUVBAHIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19-11-14(9-18-19)16-13(5-7-21-16)8-17-10-15-12(2)4-6-20-15/h4,6,9,11,13,16-17H,3,5,7-8,10H2,1-2H3.
What are the key properties of 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine?
1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine has a molecular weight of 289.38 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(3-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 71929090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).