1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine

C13H17N3O2 — CID 39349758

IUPAC1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
SMILESCOc1ccc(-n2nc(C)c(N)c2C)cc1OC
InChIInChI=1S/C13H17N3O2/c1-8-13(14)9(2)16(15-8)10-5-6-11(17-3)12(7-10)18-4/h5-7H,14H2,1-4H3
InChIKeyYXZKBNWMLYTETC-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.09
Rot. Bonds3

About 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine

1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine (PubChem CID 39349758) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
PubChem CID39349758
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine
SMILESCOc1ccc(-n2nc(C)c(N)c2C)cc1OC
InChIInChI=1S/C13H17N3O2/c1-8-13(14)9(2)16(15-8)10-5-6-11(17-3)12(7-10)18-4/h5-7H,14H2,1-4H3
InChIKeyYXZKBNWMLYTETC-UHFFFAOYSA-N
XLogP2.09
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 83690319
1-(4-methoxy-3-methylphenyl)-3,4,5-trimethylpyrazole
CID 118236588
1-(3,4-dimethoxyphenyl)-3-methylpyrazol-4-amine
CID 84617686
3,5-dimethyl-1-(4-propan-2-ylphenyl)pyrazol-4-amine
CID 39247651
[1-(3-chloro-4-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]methanamine
CID 82091856
1-(3,4-dimethoxyphenyl)pyrazol-3-amine
CID 82392973
3-tert-butyl-1-(3-methoxy-4-methylphenyl)pyrazol-5-amine
CID 59151784
1-(6-methoxypyrimidin-4-yl)-3,5-dimethylpyrazol-4-amine
CID 66320104
4-bromo-2-(3,4-dimethoxyphenyl)-6-methylpyridazin-3-one
CID 138559912
3,5-dimethyl-1-(5-methyl-3-pyridinyl)pyrazol-4-amine
CID 115375116
propan-2-yl 4-(4-amino-3,5-dimethylpyrazol-1-yl)benzoate
CID 50889004
2-(3,4-dimethoxyphenyl)-6-methyl-3-oxopyridazine-4-carbaldehyde
CID 174927014

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine (CID 39349758) is 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine is COc1ccc(-n2nc(C)c(N)c2C)cc1OC.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine?
The InChIKey is YXZKBNWMLYTETC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-8-13(14)9(2)16(15-8)10-5-6-11(17-3)12(7-10)18-4/h5-7H,14H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine?
1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine has a molecular weight of 247.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-3,5-dimethylpyrazol-4-amine is sourced from PubChem (CID 39349758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).