N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

C22H33N3O3 — CID 92589582

IUPACN-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCCn1nc(C)c(CN(Cc2cccc(OC)c2OC)C[C@H]2CCCO2)c1C
InChIInChI=1S/C22H33N3O3/c1-6-25-17(3)20(16(2)23-25)15-24(14-19-10-8-12-28-19)13-18-9-7-11-21(26-4)22(18)27-5/h7,9,11,19H,6,8,10,12-15H2,1-5H3/t19-/m1/s1
InChIKeyUYWGJYZBRJRAOJ-LJQANCHMSA-N
MW387.52 g/mol
LogP3.72
Rot. Bonds9

About N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine

N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (PubChem CID 92589582) has the molecular formula C22H33N3O3 and a molecular weight of 387.52 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
PubChem CID92589582
Molecular FormulaC22H33N3O3
Molecular Weight387.52 g/mol
Exact Mass387.25
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
SMILESCCn1nc(C)c(CN(Cc2cccc(OC)c2OC)C[C@H]2CCCO2)c1C
InChIInChI=1S/C22H33N3O3/c1-6-25-17(3)20(16(2)23-25)15-24(14-19-10-8-12-28-19)13-18-9-7-11-21(26-4)22(18)27-5/h7,9,11,19H,6,8,10,12-15H2,1-5H3/t19-/m1/s1
InChIKeyUYWGJYZBRJRAOJ-LJQANCHMSA-N
XLogP3.72
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine (CID 92589582) is N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is CCn1nc(C)c(CN(Cc2cccc(OC)c2OC)C[C@H]2CCCO2)c1C.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
The InChIKey is UYWGJYZBRJRAOJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H33N3O3/c1-6-25-17(3)20(16(2)23-25)15-24(14-19-10-8-12-28-19)13-18-9-7-11-21(26-4)22(18)27-5/h7,9,11,19H,6,8,10,12-15H2,1-5H3/t19-/m1/s1.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine?
N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine has a molecular weight of 387.52 g/mol, XLogP of 3.72, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine is sourced from PubChem (CID 92589582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).