(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine

C20H23N3O2 — CID 128976655

IUPAC(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCOc1ccc2cc(CN[C@H]3CCO[C@@H]3c3ccnn3C)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-23-19(7-9-22-23)20-18(8-10-25-20)21-13-14-3-4-16-12-17(24-2)6-5-15(16)11-14/h3-7,9,11-12,18,20-21H,8,10,13H2,1-2H3/t18-,20-/m0/s1
InChIKeyBZPULBLABGEKOB-ICSRJNTNSA-N
MW337.42 g/mol
LogP3.20
Rot. Bonds5

About (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine

(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine (PubChem CID 128976655) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
PubChem CID128976655
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
SMILESCOc1ccc2cc(CN[C@H]3CCO[C@@H]3c3ccnn3C)ccc2c1
InChIInChI=1S/C20H23N3O2/c1-23-19(7-9-22-23)20-18(8-10-25-20)21-13-14-3-4-16-12-17(24-2)6-5-15(16)11-14/h3-7,9,11-12,18,20-21H,8,10,13H2,1-2H3/t18-,20-/m0/s1
InChIKeyBZPULBLABGEKOB-ICSRJNTNSA-N
XLogP3.20
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[(2-methylquinolin-6-yl)methyl]oxolan-3-amine
CID 154743177
(2S,3S)-2-(2-methylpyrazol-3-yl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]oxolan-3-amine
CID 128976609
(2S,3S)-N-[(2-ethylpyrazol-3-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine
CID 128976560
(2S,3S)-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-amine
CID 128976636
N-[(6-methoxynaphthalen-2-yl)methyl]-1-(oxan-2-yl)methanamine
CID 60977016
2-(6-methoxy-2-pyridinyl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128970664
2-(1,3-benzodioxol-5-yl)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128986317
2-(4-fluorophenoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]acetamide
CID 128969807
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004
N-[(3-methoxyphenyl)methyl]-2-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]acetamide
CID 51104314
4-(cyclopropylmethoxy)-N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]benzamide
CID 128986254
N-[(6-methoxynaphthalen-2-yl)methyl]-2,2-dimethylcyclopentan-1-amine
CID 79866712

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine (CID 128976655) is (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine is COc1ccc2cc(CN[C@H]3CCO[C@@H]3c3ccnn3C)ccc2c1.
What is the InChIKey of (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
The InChIKey is BZPULBLABGEKOB-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-23-19(7-9-22-23)20-18(8-10-25-20)21-13-14-3-4-16-12-17(24-2)6-5-15(16)11-14/h3-7,9,11-12,18,20-21H,8,10,13H2,1-2H3/t18-,20-/m0/s1.
What are the key properties of (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine?
(2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine has a molecular weight of 337.42 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(6-methoxynaphthalen-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolan-3-amine is sourced from PubChem (CID 128976655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).