[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine

C14H19N3O2 — CID 82485187

IUPAC[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2C)c(OC)c1C
InChIInChI=1S/C14H19N3O2/c1-9-13(18-3)6-5-11(14(9)19-4)12-7-10(8-15)16-17(12)2/h5-7H,8,15H2,1-4H3
InChIKeySEBKAGNKGUROIO-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.87
Rot. Bonds4

About [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine

[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine (PubChem CID 82485187) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
PubChem CID82485187
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
SMILESCOc1ccc(-c2cc(CN)nn2C)c(OC)c1C
InChIInChI=1S/C14H19N3O2/c1-9-13(18-3)6-5-11(14(9)19-4)12-7-10(8-15)16-17(12)2/h5-7H,8,15H2,1-4H3
InChIKeySEBKAGNKGUROIO-UHFFFAOYSA-N
XLogP1.87
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827447
[5-(2,4-dimethoxy-3-methylphenyl)-1,2-oxazol-3-yl]methanamine
CID 82480208
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
[5-(4-methoxy-3-propan-2-ylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82484172
[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]methanethiol
CID 82159589
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,3-dimethylpyrazole
CID 116856836
[5-(3-methoxy-4-propoxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82072386
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421
[4-(2,4-dimethoxy-3-methylphenyl)-2-methyl-1H-imidazol-5-yl]methanamine
CID 82302244
5-[2,4-dimethoxy-3-(methoxymethyl)phenyl]-1-methylpyrazole-3-carboxylic acid
CID 117491526
2-[2-(2,4-dimethoxy-3-methylphenyl)-1,3-oxazol-4-yl]ethanamine
CID 96666077
[5-(3-chloro-4-propan-2-yloxyphenyl)-1-methylpyrazol-3-yl]methanamine
CID 98022877

Frequently Asked Questions

What is the IUPAC name of [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine?
The IUPAC name of [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine (CID 82485187) is [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine.
What is the SMILES notation for [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine?
The canonical SMILES for [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine is COc1ccc(-c2cc(CN)nn2C)c(OC)c1C.
What is the InChIKey of [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine?
The InChIKey is SEBKAGNKGUROIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-13(18-3)6-5-11(14(9)19-4)12-7-10(8-15)16-17(12)2/h5-7H,8,15H2,1-4H3.
What are the key properties of [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine?
[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine has a molecular weight of 261.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine is sourced from PubChem (CID 82485187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).