(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine

C9H15N3O — CID 122164425

IUPAC(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1N
InChIInChI=1S/C9H15N3O/c1-2-12-8(3-5-11-12)9-7(10)4-6-13-9/h3,5,7,9H,2,4,6,10H2,1H3/t7-,9-/m1/s1
InChIKeyMJBHGYWPSXCQHB-VXNVDRBHSA-N
MW181.24 g/mol
LogP0.69
Rot. Bonds2

About (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine

(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine (PubChem CID 122164425) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine
PubChem CID122164425
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine
SMILESCCn1nccc1[C@@H]1OCC[C@H]1N
InChIInChI=1S/C9H15N3O/c1-2-12-8(3-5-11-12)9-7(10)4-6-13-9/h3,5,7,9H,2,4,6,10H2,1H3/t7-,9-/m1/s1
InChIKeyMJBHGYWPSXCQHB-VXNVDRBHSA-N
XLogP0.69
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine (CID 122164425) is (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine is CCn1nccc1[C@@H]1OCC[C@H]1N.
What is the InChIKey of (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is MJBHGYWPSXCQHB-VXNVDRBHSA-N. The full InChI is InChI=1S/C9H15N3O/c1-2-12-8(3-5-11-12)9-7(10)4-6-13-9/h3,5,7,9H,2,4,6,10H2,1H3/t7-,9-/m1/s1.
What are the key properties of (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine?
(2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 181.24 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(2-ethylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 122164425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).