3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline

C11H12ClN3O — CID 68886652

IUPAC3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline
SMILESCn1ccc(COc2ccc(N)cc2Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-15-5-4-9(14-15)7-16-11-3-2-8(13)6-10(11)12/h2-6H,7,13H2,1H3
InChIKeyUUUAILJNWFTGHK-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.23
Rot. Bonds3

About 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline

3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline (PubChem CID 68886652) has the molecular formula C11H12ClN3O and a molecular weight of 237.69 g/mol. Its IUPAC name is 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline.

Molecular Properties

Compound Name3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline
PubChem CID68886652
Molecular FormulaC11H12ClN3O
Molecular Weight237.69 g/mol
Exact Mass237.07
IUPAC Name3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline
SMILESCn1ccc(COc2ccc(N)cc2Cl)n1
InChIInChI=1S/C11H12ClN3O/c1-15-5-4-9(14-15)7-16-11-3-2-8(13)6-10(11)12/h2-6H,7,13H2,1H3
InChIKeyUUUAILJNWFTGHK-UHFFFAOYSA-N
XLogP2.23
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline?
The IUPAC name of 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline (CID 68886652) is 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline.
What is the SMILES notation for 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline?
The canonical SMILES for 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline is Cn1ccc(COc2ccc(N)cc2Cl)n1.
What is the InChIKey of 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline?
The InChIKey is UUUAILJNWFTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O/c1-15-5-4-9(14-15)7-16-11-3-2-8(13)6-10(11)12/h2-6H,7,13H2,1H3.
What are the key properties of 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline?
3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline has a molecular weight of 237.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[(1-methylpyrazol-3-yl)methoxy]aniline is sourced from PubChem (CID 68886652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).