N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline

C12H15N3O2S — CID 43724692

IUPACN-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
SMILESCn1nccc1CNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H15N3O2S/c1-15-10(7-8-14-15)9-13-11-5-3-4-6-12(11)18(2,16)17/h3-8,13H,9H2,1-2H3
InChIKeyDNPPZEWGVBKUOZ-UHFFFAOYSA-N
MW265.34 g/mol
LogP1.44
Rot. Bonds4

About N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline

N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline (PubChem CID 43724692) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline.

Molecular Properties

Compound NameN-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
PubChem CID43724692
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
SMILESCn1nccc1CNc1ccccc1S(C)(=O)=O
InChIInChI=1S/C12H15N3O2S/c1-15-10(7-8-14-15)9-13-11-5-3-4-6-12(11)18(2,16)17/h3-8,13H,9H2,1-2H3
InChIKeyDNPPZEWGVBKUOZ-UHFFFAOYSA-N
XLogP1.44
TPSA63.99 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 ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfonyl-N-[(3-methyltriazol-4-yl)methyl]aniline
CID 113483013
2-[(2-methylpyrazol-3-yl)methylamino]benzonitrile
CID 43433440
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
CID 75518388
N-[(2-ethylpyrazol-3-yl)methyl]-2-ethylsulfonylaniline
CID 114555359
N-[(2-methylpyrazol-3-yl)methyl]-2-pyrrolidin-1-ylaniline
CID 43684265
5-amino-2-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 79896397
ethyl 2-[(2-methylpyrazol-3-yl)methylamino]benzoate
CID 43663374
2-methoxy-N-[(2-methylpyrazol-3-yl)methyl]pyridin-3-amine
CID 43721974
2-methylsulfonyl-N-[(2-pyrazol-1-ylphenyl)methyl]aniline
CID 133270594
2-(methylaminomethyl)-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 106065065
3-bromo-2-methyl-N-[(2-methylpyrazol-3-yl)methyl]benzenesulfonamide
CID 71982239
2-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]aniline
CID 62957712

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline?
The IUPAC name of N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline (CID 43724692) is N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline.
What is the SMILES notation for N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline?
The canonical SMILES for N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline is Cn1nccc1CNc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline?
The InChIKey is DNPPZEWGVBKUOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c1-15-10(7-8-14-15)9-13-11-5-3-4-6-12(11)18(2,16)17/h3-8,13H,9H2,1-2H3.
What are the key properties of N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline?
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline has a molecular weight of 265.34 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline is sourced from PubChem (CID 43724692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).