1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine

C12H15N3O2 — CID 82466679

IUPAC1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
SMILESCOc1ccc(OC)c(-n2ncc(N)c2C)c1
InChIInChI=1S/C12H15N3O2/c1-8-10(13)7-14-15(8)11-6-9(16-2)4-5-12(11)17-3/h4-7H,13H2,1-3H3
InChIKeyDJGVOZRPJOFHQF-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.78
Rot. Bonds3

About 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine

1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine (PubChem CID 82466679) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine.

Molecular Properties

Compound Name1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
PubChem CID82466679
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine
SMILESCOc1ccc(OC)c(-n2ncc(N)c2C)c1
InChIInChI=1S/C12H15N3O2/c1-8-10(13)7-14-15(8)11-6-9(16-2)4-5-12(11)17-3/h4-7H,13H2,1-3H3
InChIKeyDJGVOZRPJOFHQF-UHFFFAOYSA-N
XLogP1.78
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,5-dimethoxyphenyl)-5-methylpyrazole-4-carbothioamide
CID 82527837
[1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 84760277
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-carboxamide
CID 82198687
1-(2,5-dimethoxyphenyl)-N,5-dimethyltriazol-4-amine
CID 169248346
1-(2,5-dimethoxyphenyl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 39375252
1-(2,5-dimethoxyphenyl)-5-methyltriazole-4-sulfonyl chloride
CID 169248208
1-(2,5-dimethoxyphenyl)-6-sulfanylidene-7H-pyrazolo[5,4-d]pyrimidin-4-one
CID 136816864
1-(5-chloro-2-methoxyphenyl)-4-(chloromethyl)-5-methylpyrazole
CID 82528095
2,5-diazabicyclo[2.2.0]hexa-1(6),2,4-triene;2,5-dimethoxyaniline
CID 70450915
2,5-dimethoxyaniline;molecular hydrogen
CID 159599481
N-[[1-(2,4-dimethoxyphenyl)-5-methylpyrazol-4-yl]methyl]butan-2-amine
CID 82527865
[1-(2,5-dimethoxyphenyl)-2,5-dimethylpyrrol-3-yl]methanamine
CID 66523707

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine?
The IUPAC name of 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine (CID 82466679) is 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine.
What is the SMILES notation for 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine?
The canonical SMILES for 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine is COc1ccc(OC)c(-n2ncc(N)c2C)c1.
What is the InChIKey of 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine?
The InChIKey is DJGVOZRPJOFHQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-8-10(13)7-14-15(8)11-6-9(16-2)4-5-12(11)17-3/h4-7H,13H2,1-3H3.
What are the key properties of 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine?
1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine has a molecular weight of 233.27 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethoxyphenyl)-5-methylpyrazol-4-amine is sourced from PubChem (CID 82466679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).