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

C11H14N4O — CID 79770557

IUPAC2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
SMILESCOc1cc(Nc2cnn(C)c2)ccc1N
InChIInChI=1S/C11H14N4O/c1-15-7-9(6-13-15)14-8-3-4-10(12)11(5-8)16-2/h3-7,14H,12H2,1-2H3
InChIKeyQVWIQTRZFGCJAV-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.75
Rot. Bonds3

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

2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine (PubChem CID 79770557) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
PubChem CID79770557
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine
SMILESCOc1cc(Nc2cnn(C)c2)ccc1N
InChIInChI=1S/C11H14N4O/c1-15-7-9(6-13-15)14-8-3-4-10(12)11(5-8)16-2/h3-7,14H,12H2,1-2H3
InChIKeyQVWIQTRZFGCJAV-UHFFFAOYSA-N
XLogP1.75
TPSA65.10 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
The IUPAC name of 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine (CID 79770557) is 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
The canonical SMILES for 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine is COc1cc(Nc2cnn(C)c2)ccc1N.
What is the InChIKey of 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
The InChIKey is QVWIQTRZFGCJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-15-7-9(6-13-15)14-8-3-4-10(12)11(5-8)16-2/h3-7,14H,12H2,1-2H3.
What are the key properties of 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine?
2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine has a molecular weight of 218.26 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-N-(1-methylpyrazol-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 79770557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).