1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine

C16H23N3O2 — CID 96997495

IUPAC1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2ccc(C)o2)cn1
InChIInChI=1S/C16H23N3O2/c1-3-19-11-14(9-18-19)16-13(6-7-20-16)8-17-10-15-5-4-12(2)21-15/h4-5,9,11,13,16-17H,3,6-8,10H2,1-2H3/t13-,16-/m0/s1
InChIKeyGSMVLGIVWVHHSG-BBRMVZONSA-N
MW289.38 g/mol
LogP2.67
Rot. Bonds6

About 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine

1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine (PubChem CID 96997495) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
PubChem CID96997495
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine
SMILESCCn1cc([C@H]2OCC[C@H]2CNCc2ccc(C)o2)cn1
InChIInChI=1S/C16H23N3O2/c1-3-19-11-14(9-18-19)16-13(6-7-20-16)8-17-10-15-5-4-12(2)21-15/h4-5,9,11,13,16-17H,3,6-8,10H2,1-2H3/t13-,16-/m0/s1
InChIKeyGSMVLGIVWVHHSG-BBRMVZONSA-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

Analyze 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The IUPAC name of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine (CID 96997495) is 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The canonical SMILES for 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine is CCn1cc([C@H]2OCC[C@H]2CNCc2ccc(C)o2)cn1.
What is the InChIKey of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
The InChIKey is GSMVLGIVWVHHSG-BBRMVZONSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-3-19-11-14(9-18-19)16-13(6-7-20-16)8-17-10-15-5-4-12(2)21-15/h4-5,9,11,13,16-17H,3,6-8,10H2,1-2H3/t13-,16-/m0/s1.
What are the key properties of 1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine?
1-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-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-[(2S,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-N-[(5-methylfuran-2-yl)methyl]methanamine is sourced from PubChem (CID 96997495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).