2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

C20H23N3O — CID 83986425

IUPAC2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1ccc(-c2cc(C(CN)c3ccc(C)c(C)c3)[nH]n2)cc1
InChIInChI=1S/C20H23N3O/c1-13-4-5-16(10-14(13)2)18(12-21)20-11-19(22-23-20)15-6-8-17(24-3)9-7-15/h4-11,18H,12,21H2,1-3H3,(H,22,23)
InChIKeyLCJCIAPJKBWDLY-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.79
Rot. Bonds5

About 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine

2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (PubChem CID 83986425) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
PubChem CID83986425
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine
SMILESCOc1ccc(-c2cc(C(CN)c3ccc(C)c(C)c3)[nH]n2)cc1
InChIInChI=1S/C20H23N3O/c1-13-4-5-16(10-14(13)2)18(12-21)20-11-19(22-23-20)15-6-8-17(24-3)9-7-15/h4-11,18H,12,21H2,1-3H3,(H,22,23)
InChIKeyLCJCIAPJKBWDLY-UHFFFAOYSA-N
XLogP3.79
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The IUPAC name of 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine (CID 83986425) is 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is COc1ccc(-c2cc(C(CN)c3ccc(C)c(C)c3)[nH]n2)cc1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
The InChIKey is LCJCIAPJKBWDLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13-4-5-16(10-14(13)2)18(12-21)20-11-19(22-23-20)15-6-8-17(24-3)9-7-15/h4-11,18H,12,21H2,1-3H3,(H,22,23).
What are the key properties of 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine?
2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine has a molecular weight of 321.42 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-2-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]ethanamine is sourced from PubChem (CID 83986425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).