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

C14H19N3O — CID 82479065

IUPAC2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine
SMILESCOc1cccc(-c2c(C)nn(CCN)c2C)c1
InChIInChI=1S/C14H19N3O/c1-10-14(11(2)17(16-10)8-7-15)12-5-4-6-13(9-12)18-3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyDADLSJYPLXUZOO-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.13
Rot. Bonds4

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

2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine (PubChem CID 82479065) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine.

Molecular Properties

Compound Name2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine
PubChem CID82479065
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine
SMILESCOc1cccc(-c2c(C)nn(CCN)c2C)c1
InChIInChI=1S/C14H19N3O/c1-10-14(11(2)17(16-10)8-7-15)12-5-4-6-13(9-12)18-3/h4-6,9H,7-8,15H2,1-3H3
InChIKeyDADLSJYPLXUZOO-UHFFFAOYSA-N
XLogP2.13
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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[5-(3-methoxyphenyl)-1-methyl-1,2,4-triazol-3-yl]methanamine
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CID 18694790
5-(3-methoxyphenyl)-1,3-dimethylpyrazole
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CID 84673302
2-(3-methoxyphenyl)-1,3,5-trimethylbenzene
CID 66916575
azane;1-methoxy-3-(3-methoxyphenyl)benzene
CID 174719266
1-methoxy-3-(3-methoxyphenyl)benzene;sulfane
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3,5-difluoro-4-(3-methoxyphenyl)aniline
CID 175669991
[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
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CID 82207885

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
The IUPAC name of 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine (CID 82479065) is 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine.
What is the SMILES notation for 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
The canonical SMILES for 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine is COc1cccc(-c2c(C)nn(CCN)c2C)c1.
What is the InChIKey of 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
The InChIKey is DADLSJYPLXUZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-14(11(2)17(16-10)8-7-15)12-5-4-6-13(9-12)18-3/h4-6,9H,7-8,15H2,1-3H3.
What are the key properties of 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine?
2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-methoxyphenyl)-3,5-dimethylpyrazol-1-yl]ethanamine is sourced from PubChem (CID 82479065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).