4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline

C12H15N3O2S — CID 81207535

IUPAC4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline
SMILESCOc1ccc(N)c(S(=O)Cc2cnn(C)c2)c1
InChIInChI=1S/C12H15N3O2S/c1-15-7-9(6-14-15)8-18(16)12-5-10(17-2)3-4-11(12)13/h3-7H,8,13H2,1-2H3
InChIKeyGLZNKRIHTMEXEY-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.32
Rot. Bonds4

About 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline

4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline (PubChem CID 81207535) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline.

Molecular Properties

Compound Name4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline
PubChem CID81207535
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC Name4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline
SMILESCOc1ccc(N)c(S(=O)Cc2cnn(C)c2)c1
InChIInChI=1S/C12H15N3O2S/c1-15-7-9(6-14-15)8-18(16)12-5-10(17-2)3-4-11(12)13/h3-7H,8,13H2,1-2H3
InChIKeyGLZNKRIHTMEXEY-UHFFFAOYSA-N
XLogP1.32
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline
CID 81202653
4-methoxy-2-[(4-propan-2-ylphenyl)methylsulfinyl]aniline
CID 81201044
4-[(2-amino-5-methoxyphenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 81207543
2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methylsulfinyl]-4-methoxyaniline
CID 81207467
2-amino-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzenesulfonamide
CID 61125404
4-methoxy-2-[(1-propan-2-ylpyrazol-3-yl)methylsulfinyl]aniline
CID 81207055
4-methoxy-2-[(2-methylphenyl)methylsulfinyl]aniline
CID 81207791
2-(2-amino-5-methoxyphenyl)sulfinylacetonitrile
CID 81207794
2-(3-fluoropropylsulfinyl)-4-methoxyaniline
CID 81207384
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764
(2-amino-5-methoxyphenyl)-(1-methylpyrazol-4-yl)methanone
CID 116602543
4-methoxy-2-(phenylmethoxymethylsulfinyl)aniline
CID 102941211

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline?
The IUPAC name of 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline (CID 81207535) is 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline.
What is the SMILES notation for 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline?
The canonical SMILES for 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline is COc1ccc(N)c(S(=O)Cc2cnn(C)c2)c1.
What is the InChIKey of 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline?
The InChIKey is GLZNKRIHTMEXEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-7-9(6-14-15)8-18(16)12-5-10(17-2)3-4-11(12)13/h3-7H,8,13H2,1-2H3.
What are the key properties of 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline?
4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline has a molecular weight of 265.34 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-[(1-methylpyrazol-4-yl)methylsulfinyl]aniline is sourced from PubChem (CID 81207535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).