2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine

C12H16N4O — CID 166844202

IUPAC2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
SMILESCNc1ccc(-c2cnn(C)c2)cc1NOC
InChIInChI=1S/C12H16N4O/c1-13-11-5-4-9(6-12(11)15-17-3)10-7-14-16(2)8-10/h4-8,13,15H,1-3H3
InChIKeyJOOAMYFVIKCMAW-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.10
Rot. Bonds4

About 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine

2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine (PubChem CID 166844202) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine.

Molecular Properties

Compound Name2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
PubChem CID166844202
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine
SMILESCNc1ccc(-c2cnn(C)c2)cc1NOC
InChIInChI=1S/C12H16N4O/c1-13-11-5-4-9(6-12(11)15-17-3)10-7-14-16(2)8-10/h4-8,13,15H,1-3H3
InChIKeyJOOAMYFVIKCMAW-UHFFFAOYSA-N
XLogP2.10
TPSA51.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
The IUPAC name of 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine (CID 166844202) is 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine.
What is the SMILES notation for 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
The canonical SMILES for 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine is CNc1ccc(-c2cnn(C)c2)cc1NOC.
What is the InChIKey of 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
The InChIKey is JOOAMYFVIKCMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-13-11-5-4-9(6-12(11)15-17-3)10-7-14-16(2)8-10/h4-8,13,15H,1-3H3.
What are the key properties of 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine?
2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine has a molecular weight of 232.29 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methoxy-1-N-methyl-4-(1-methylpyrazol-4-yl)benzene-1,2-diamine is sourced from PubChem (CID 166844202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).