(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine

C8H13N3O — CID 119032001

IUPAC(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCn1nccc1[C@H]1OCC[C@@H]1N
InChIInChI=1S/C8H13N3O/c1-11-7(2-4-10-11)8-6(9)3-5-12-8/h2,4,6,8H,3,5,9H2,1H3/t6-,8-/m0/s1
InChIKeySZODTXFPWVBAML-XPUUQOCRSA-N
MW167.21 g/mol
LogP0.21
Rot. Bonds1

About (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine

(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine (PubChem CID 119032001) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine
PubChem CID119032001
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCn1nccc1[C@H]1OCC[C@@H]1N
InChIInChI=1S/C8H13N3O/c1-11-7(2-4-10-11)8-6(9)3-5-12-8/h2,4,6,8H,3,5,9H2,1H3/t6-,8-/m0/s1
InChIKeySZODTXFPWVBAML-XPUUQOCRSA-N
XLogP0.21
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine (CID 119032001) is (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine is Cn1nccc1[C@H]1OCC[C@@H]1N.
What is the InChIKey of (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is SZODTXFPWVBAML-XPUUQOCRSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-7(2-4-10-11)8-6(9)3-5-12-8/h2,4,6,8H,3,5,9H2,1H3/t6-,8-/m0/s1.
What are the key properties of (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 167.21 g/mol, XLogP of 0.21, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 119032001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).