2-methoxy-N-methyl-3-pyrazol-1-ylaniline

C11H13N3O — CID 123545407

IUPAC2-methoxy-N-methyl-3-pyrazol-1-ylaniline
SMILESCNc1cccc(-n2cccn2)c1OC
InChIInChI=1S/C11H13N3O/c1-12-9-5-3-6-10(11(9)15-2)14-8-4-7-13-14/h3-8,12H,1-2H3
InChIKeyMSLGUNKKFKAQPG-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.92
Rot. Bonds3

About 2-methoxy-N-methyl-3-pyrazol-1-ylaniline

2-methoxy-N-methyl-3-pyrazol-1-ylaniline (PubChem CID 123545407) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-methoxy-N-methyl-3-pyrazol-1-ylaniline.

Molecular Properties

Compound Name2-methoxy-N-methyl-3-pyrazol-1-ylaniline
PubChem CID123545407
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-methoxy-N-methyl-3-pyrazol-1-ylaniline
SMILESCNc1cccc(-n2cccn2)c1OC
InChIInChI=1S/C11H13N3O/c1-12-9-5-3-6-10(11(9)15-2)14-8-4-7-13-14/h3-8,12H,1-2H3
InChIKeyMSLGUNKKFKAQPG-UHFFFAOYSA-N
XLogP1.92
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-methyl-3-pyrazol-1-ylaniline?
The IUPAC name of 2-methoxy-N-methyl-3-pyrazol-1-ylaniline (CID 123545407) is 2-methoxy-N-methyl-3-pyrazol-1-ylaniline.
What is the SMILES notation for 2-methoxy-N-methyl-3-pyrazol-1-ylaniline?
The canonical SMILES for 2-methoxy-N-methyl-3-pyrazol-1-ylaniline is CNc1cccc(-n2cccn2)c1OC.
What is the InChIKey of 2-methoxy-N-methyl-3-pyrazol-1-ylaniline?
The InChIKey is MSLGUNKKFKAQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-12-9-5-3-6-10(11(9)15-2)14-8-4-7-13-14/h3-8,12H,1-2H3.
What are the key properties of 2-methoxy-N-methyl-3-pyrazol-1-ylaniline?
2-methoxy-N-methyl-3-pyrazol-1-ylaniline has a molecular weight of 203.25 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-methyl-3-pyrazol-1-ylaniline is sourced from PubChem (CID 123545407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).