[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

C9H15N3O — CID 86811702

IUPAC[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CN
InChIInChI=1S/C9H15N3O/c1-12-8(2-4-11-12)9-7(6-10)3-5-13-9/h2,4,7,9H,3,5-6,10H2,1H3/t7-,9+/m0/s1
InChIKeyRFHQJLOTULCXTL-IONNQARKSA-N
MW181.24 g/mol
LogP0.46
Rot. Bonds2

About [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine

[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (PubChem CID 86811702) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
PubChem CID86811702
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine
SMILESCn1nccc1[C@@H]1OCC[C@H]1CN
InChIInChI=1S/C9H15N3O/c1-12-8(2-4-11-12)9-7(6-10)3-5-13-9/h2,4,7,9H,3,5-6,10H2,1H3/t7-,9+/m0/s1
InChIKeyRFHQJLOTULCXTL-IONNQARKSA-N
XLogP0.46
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 ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The IUPAC name of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine (CID 86811702) is [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine.
What is the SMILES notation for [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The canonical SMILES for [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is Cn1nccc1[C@@H]1OCC[C@H]1CN.
What is the InChIKey of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
The InChIKey is RFHQJLOTULCXTL-IONNQARKSA-N. The full InChI is InChI=1S/C9H15N3O/c1-12-8(2-4-11-12)9-7(6-10)3-5-13-9/h2,4,7,9H,3,5-6,10H2,1H3/t7-,9+/m0/s1.
What are the key properties of [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine?
[(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine has a molecular weight of 181.24 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]methanamine is sourced from PubChem (CID 86811702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).