2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine

C16H23N3O2 — CID 58757354

IUPAC2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine
SMILESCOC(OC)c1cc(-c2cccc(C(C)(C)N)c2)n(C)n1
InChIInChI=1S/C16H23N3O2/c1-16(2,17)12-8-6-7-11(9-12)14-10-13(18-19(14)3)15(20-4)21-5/h6-10,15H,17H2,1-5H3
InChIKeySEYWPQDEFHXOGL-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.57
Rot. Bonds5

About 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine

2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine (PubChem CID 58757354) has the molecular formula C16H23N3O2 and a molecular weight of 289.38 g/mol. Its IUPAC name is 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine.

Molecular Properties

Compound Name2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine
PubChem CID58757354
Molecular FormulaC16H23N3O2
Molecular Weight289.38 g/mol
Exact Mass289.18
IUPAC Name2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine
SMILESCOC(OC)c1cc(-c2cccc(C(C)(C)N)c2)n(C)n1
InChIInChI=1S/C16H23N3O2/c1-16(2,17)12-8-6-7-11(9-12)14-10-13(18-19(14)3)15(20-4)21-5/h6-10,15H,17H2,1-5H3
InChIKeySEYWPQDEFHXOGL-UHFFFAOYSA-N
XLogP2.57
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine?
The IUPAC name of 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine (CID 58757354) is 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine.
What is the SMILES notation for 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine?
The canonical SMILES for 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine is COC(OC)c1cc(-c2cccc(C(C)(C)N)c2)n(C)n1.
What is the InChIKey of 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine?
The InChIKey is SEYWPQDEFHXOGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2/c1-16(2,17)12-8-6-7-11(9-12)14-10-13(18-19(14)3)15(20-4)21-5/h6-10,15H,17H2,1-5H3.
What are the key properties of 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine?
2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine has a molecular weight of 289.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-(dimethoxymethyl)-1-methylpyrazol-5-yl]phenyl]propan-2-amine is sourced from PubChem (CID 58757354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).