5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine

C14H19N3O2 — CID 116827447

IUPAC5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(-c2ccc(OC)c(C)c2OC)n(C)n1
InChIInChI=1S/C14H19N3O2/c1-9-12(18-4)7-6-10(14(9)19-5)11-8-13(15-2)16-17(11)3/h6-8H,1-5H3,(H,15,16)
InChIKeyKLBIJOCYNRKGEF-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.45
Rot. Bonds4

About 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine

5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine (PubChem CID 116827447) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine.

Molecular Properties

Compound Name5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
PubChem CID116827447
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine
SMILESCNc1cc(-c2ccc(OC)c(C)c2OC)n(C)n1
InChIInChI=1S/C14H19N3O2/c1-9-12(18-4)7-6-10(14(9)19-5)11-8-13(15-2)16-17(11)3/h6-8H,1-5H3,(H,15,16)
InChIKeyKLBIJOCYNRKGEF-UHFFFAOYSA-N
XLogP2.45
TPSA48.31 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 ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazol-3-yl]methanamine
CID 82485187
5-(2-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827490
5-(5-chloro-2-methoxy-4-methylphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827428
5-(2,4-dimethoxy-3-methylphenyl)-1-methylpyrazole
CID 116869160
5-(3-fluoro-4-methoxyphenyl)-N,1-dimethylpyrazol-3-amine
CID 116827395
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1,3-dimethylpyrazole
CID 116856836
N,1-dimethyl-5-(4-methylphenyl)pyrazol-3-amine
CID 116827378
5-(2,4-dimethoxy-3-methylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832377
5-(4-methoxy-2,3-dimethylphenyl)-1-methylpyrazole
CID 116869158
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1-methylpyrazole-3-carboxylic acid
CID 117469018
4-(2,4-dimethoxy-3-methylphenyl)-N-methylpyrimidin-2-amine
CID 116900544
5-(2-hydroxy-3,4-dimethoxyphenyl)-1-methylpyrazole-3-carboxylic acid
CID 136932005

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine?
The IUPAC name of 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine (CID 116827447) is 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine.
What is the SMILES notation for 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine?
The canonical SMILES for 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine is CNc1cc(-c2ccc(OC)c(C)c2OC)n(C)n1.
What is the InChIKey of 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine?
The InChIKey is KLBIJOCYNRKGEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-9-12(18-4)7-6-10(14(9)19-5)11-8-13(15-2)16-17(11)3/h6-8H,1-5H3,(H,15,16).
What are the key properties of 5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine?
5-(2,4-dimethoxy-3-methylphenyl)-N,1-dimethylpyrazol-3-amine has a molecular weight of 261.32 g/mol, XLogP of 2.45, 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)-N,1-dimethylpyrazol-3-amine is sourced from PubChem (CID 116827447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).