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

C20H23N3O — CID 82071889

IUPAC2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
SMILESCOc1ccc(-c2cc(CCN)nn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H23N3O/c1-14-4-7-18(12-15(14)2)23-20(13-17(22-23)10-11-21)16-5-8-19(24-3)9-6-16/h4-9,12-13H,10-11,21H2,1-3H3
InChIKeyRAZQLKUCHRDDND-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.67
Rot. Bonds5

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

2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine (PubChem CID 82071889) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
PubChem CID82071889
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine
SMILESCOc1ccc(-c2cc(CCN)nn2-c2ccc(C)c(C)c2)cc1
InChIInChI=1S/C20H23N3O/c1-14-4-7-18(12-15(14)2)23-20(13-17(22-23)10-11-21)16-5-8-19(24-3)9-6-16/h4-9,12-13H,10-11,21H2,1-3H3
InChIKeyRAZQLKUCHRDDND-UHFFFAOYSA-N
XLogP3.67
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]methanamine
CID 82072095
[1-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071935
2-[1-(4-methoxyphenyl)-5-pyridin-3-ylpyrazol-3-yl]ethanamine
CID 82072774
2-[5-(4-methoxyphenyl)-1-methylpyrazol-3-yl]ethanamine
CID 82071880
ethyl 3-[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]propanoate
CID 11222871
[4-[1-(4-methoxyphenyl)-3-propan-2-ylpyrazol-5-yl]phenyl]methanamine;hydrochloride
CID 21090936
[1-(2-methoxyphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82071949
2-[4-[3-chloro-1-(4-methoxyphenyl)pyrazol-5-yl]phenoxy]ethanamine
CID 21090779
[4-[5-(4-methoxyphenyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine;hydrochloride
CID 21090957
2-[1-(2,5-dimethylphenyl)-5-(4-fluorophenyl)pyrazol-3-yl]ethanamine
CID 82072157
3-methoxy-1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazole
CID 173202359
1-(3,4-dimethylphenyl)-3-(2-methoxyethyl)pyrazol-5-amine
CID 82085843

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine (CID 82071889) is 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine is COc1ccc(-c2cc(CCN)nn2-c2ccc(C)c(C)c2)cc1.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
The InChIKey is RAZQLKUCHRDDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-14-4-7-18(12-15(14)2)23-20(13-17(22-23)10-11-21)16-5-8-19(24-3)9-6-16/h4-9,12-13H,10-11,21H2,1-3H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine?
2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine has a molecular weight of 321.42 g/mol, XLogP of 3.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)-5-(4-methoxyphenyl)pyrazol-3-yl]ethanamine is sourced from PubChem (CID 82071889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).