[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine

C11H19N3O — CID 122164121

IUPAC[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
SMILESCCn1cc([C@@H]2OCCC[C@H]2CN)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-8-10(7-13-14)11-9(6-12)4-3-5-15-11/h7-9,11H,2-6,12H2,1H3/t9-,11+/m0/s1
InChIKeyDGQICGWXCWYOPS-GXSJLCMTSA-N
MW209.29 g/mol
LogP1.33
Rot. Bonds3

About [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine

[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine (PubChem CID 122164121) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
PubChem CID122164121
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine
SMILESCCn1cc([C@@H]2OCCC[C@H]2CN)cn1
InChIInChI=1S/C11H19N3O/c1-2-14-8-10(7-13-14)11-9(6-12)4-3-5-15-11/h7-9,11H,2-6,12H2,1H3/t9-,11+/m0/s1
InChIKeyDGQICGWXCWYOPS-GXSJLCMTSA-N
XLogP1.33
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine with MolForge

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

Launch Full Analysis

Related Compounds

[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methanamine
CID 96835165
N-[[2-(1-ethylpyrazol-4-yl)oxan-3-yl]methyl]-2-methylpropan-2-amine
CID 103571051
2-(1-ethylpyrazol-4-yl)oxolan-3-amine
CID 103848592
1-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]methanamine
CID 154761305
5-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methylcarbamoyl]furan-2-carboxylic acid
CID 146135749
[(2R,3R)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]methanone
CID 128736435
2-[[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-1-propan-2-ylguanidine
CID 122099176
[(2S,3S)-2-phenyloxan-3-yl]methanamine
CID 51892912
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]-2-methylpropan-1-amine
CID 113344558
N-[[2-(1-ethylpyrazol-4-yl)oxolan-3-yl]methyl]oxan-4-amine
CID 71873016
(2R,3S)-2-(1-ethylpyrazol-4-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]oxan-3-amine
CID 129005578
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119

Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine?
The IUPAC name of [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine (CID 122164121) is [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine.
What is the SMILES notation for [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine?
The canonical SMILES for [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine is CCn1cc([C@@H]2OCCC[C@H]2CN)cn1.
What is the InChIKey of [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine?
The InChIKey is DGQICGWXCWYOPS-GXSJLCMTSA-N. The full InChI is InChI=1S/C11H19N3O/c1-2-14-8-10(7-13-14)11-9(6-12)4-3-5-15-11/h7-9,11H,2-6,12H2,1H3/t9-,11+/m0/s1.
What are the key properties of [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine?
[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine has a molecular weight of 209.29 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(1-ethylpyrazol-4-yl)oxan-3-yl]methanamine is sourced from PubChem (CID 122164121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).