(2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine

C19H25N3O2 — CID 129483652

IUPAC(2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCOc1cccc2c1CC[C@H](N[C@H]1CCO[C@@H]1c1ccnn1C)C2
InChIInChI=1S/C19H25N3O2/c1-22-17(8-10-20-22)19-16(9-11-24-19)21-14-6-7-15-13(12-14)4-3-5-18(15)23-2/h3-5,8,10,14,16,19,21H,6-7,9,11-12H2,1-2H3/t14-,16-,19-/m0/s1
InChIKeySOVJWBFPWAIZSF-QOKNQOGYSA-N
MW327.43 g/mol
LogP2.41
Rot. Bonds4

About (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine

(2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine (PubChem CID 129483652) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
PubChem CID129483652
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name(2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCOc1cccc2c1CC[C@H](N[C@H]1CCO[C@@H]1c1ccnn1C)C2
InChIInChI=1S/C19H25N3O2/c1-22-17(8-10-20-22)19-16(9-11-24-19)21-14-6-7-15-13(12-14)4-3-5-18(15)23-2/h3-5,8,10,14,16,19,21H,6-7,9,11-12H2,1-2H3/t14-,16-,19-/m0/s1
InChIKeySOVJWBFPWAIZSF-QOKNQOGYSA-N
XLogP2.41
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine (CID 129483652) is (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine is COc1cccc2c1CC[C@H](N[C@H]1CCO[C@@H]1c1ccnn1C)C2.
What is the InChIKey of (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is SOVJWBFPWAIZSF-QOKNQOGYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-22-17(8-10-20-22)19-16(9-11-24-19)21-14-6-7-15-13(12-14)4-3-5-18(15)23-2/h3-5,8,10,14,16,19,21H,6-7,9,11-12H2,1-2H3/t14-,16-,19-/m0/s1.
What are the key properties of (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
(2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 327.43 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2S)-5-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 129483652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).