(3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol

C12H21N3O2 — CID 91833531

IUPAC(3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1ccn(CC)n1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C12H21N3O2/c1-3-14(11-8-17-9-12(11)16)7-10-5-6-15(4-2)13-10/h5-6,11-12,16H,3-4,7-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyFPBJAQOUCBCXCY-RYUDHWBXSA-N
MW239.32 g/mol
LogP0.48
Rot. Bonds5

About (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol

(3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol (PubChem CID 91833531) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol.

Molecular Properties

Compound Name(3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol
PubChem CID91833531
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC Name(3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol
SMILESCCN(Cc1ccn(CC)n1)[C@H]1COC[C@@H]1O
InChIInChI=1S/C12H21N3O2/c1-3-14(11-8-17-9-12(11)16)7-10-5-6-15(4-2)13-10/h5-6,11-12,16H,3-4,7-9H2,1-2H3/t11-,12-/m0/s1
InChIKeyFPBJAQOUCBCXCY-RYUDHWBXSA-N
XLogP0.48
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol?
The IUPAC name of (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol (CID 91833531) is (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol.
What is the SMILES notation for (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol?
The canonical SMILES for (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol is CCN(Cc1ccn(CC)n1)[C@H]1COC[C@@H]1O.
What is the InChIKey of (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol?
The InChIKey is FPBJAQOUCBCXCY-RYUDHWBXSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-3-14(11-8-17-9-12(11)16)7-10-5-6-15(4-2)13-10/h5-6,11-12,16H,3-4,7-9H2,1-2H3/t11-,12-/m0/s1.
What are the key properties of (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol?
(3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol has a molecular weight of 239.32 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-[ethyl-[(1-ethylpyrazol-3-yl)methyl]amino]oxolan-3-ol is sourced from PubChem (CID 91833531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).