5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine

C13H18N4O — CID 43554148

IUPAC5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCOc1ccc(C)cc1Nc1c(N)c(C)nn1C
InChIInChI=1S/C13H18N4O/c1-8-5-6-11(18-4)10(7-8)15-13-12(14)9(2)16-17(13)3/h5-7,15H,14H2,1-4H3
InChIKeyUBVJVMVPKDKTEX-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.37
Rot. Bonds3

About 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 43554148) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID43554148
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCOc1ccc(C)cc1Nc1c(N)c(C)nn1C
InChIInChI=1S/C13H18N4O/c1-8-5-6-11(18-4)10(7-8)15-13-12(14)9(2)16-17(13)3/h5-7,15H,14H2,1-4H3
InChIKeyUBVJVMVPKDKTEX-UHFFFAOYSA-N
XLogP2.37
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine 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

5-N-(2,5-dimethoxyphenyl)-3-methyl-1-propan-2-ylpyrazole-4,5-diamine
CID 66029467
5-N-(5-chloro-2-methoxyphenyl)-1-methyl-3-propan-2-ylpyrazole-4,5-diamine
CID 66018572
1,3-dimethyl-5-N-(2-methylphenyl)pyrazole-4,5-diamine
CID 43554200
5-N-(5-chloro-2-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554203
5-N-(3-methoxyphenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43554187
5-N-(5-bromo-2-fluorophenyl)-1,3-dimethylpyrazole-4,5-diamine
CID 43555541
2-chloro-4-N-(2-methoxy-5-methylphenyl)-5-methylbenzene-1,4-diamine
CID 115554504
2-N-(2-methoxy-5-methylphenyl)-6-methylpyridine-2,3-diamine
CID 81131819
4-amino-3-ethyl-N-(2-methoxy-5-methylphenyl)-1-methylpyrazole-5-carboxamide
CID 66123745
2,6-difluoro-1-N-(2-methoxy-5-methylphenyl)benzene-1,4-diamine
CID 54902891
1-N-(2-methoxy-5-methylphenyl)-4-methylbenzene-1,3-diamine
CID 62912994
2-[(4-amino-1,3-dimethylpyrazol-5-yl)amino]benzonitrile
CID 43554163

Frequently Asked Questions

What is the IUPAC name of 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine (CID 43554148) is 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine is COc1ccc(C)cc1Nc1c(N)c(C)nn1C.
What is the InChIKey of 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is UBVJVMVPKDKTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-8-5-6-11(18-4)10(7-8)15-13-12(14)9(2)16-17(13)3/h5-7,15H,14H2,1-4H3.
What are the key properties of 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 246.31 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-methoxy-5-methylphenyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 43554148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).