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

C13H17N3O2S — CID 75518388

IUPAC4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
SMILESCc1ccc(NCc2ccnn2C)cc1S(C)(=O)=O
InChIInChI=1S/C13H17N3O2S/c1-10-4-5-11(8-13(10)19(3,17)18)14-9-12-6-7-15-16(12)2/h4-8,14H,9H2,1-3H3
InChIKeyFBXZLQLXUFSWBP-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.74
Rot. Bonds4

About 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline

4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline (PubChem CID 75518388) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline.

Molecular Properties

Compound Name4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
PubChem CID75518388
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline
SMILESCc1ccc(NCc2ccnn2C)cc1S(C)(=O)=O
InChIInChI=1S/C13H17N3O2S/c1-10-4-5-11(8-13(10)19(3,17)18)14-9-12-6-7-15-16(12)2/h4-8,14H,9H2,1-3H3
InChIKeyFBXZLQLXUFSWBP-UHFFFAOYSA-N
XLogP1.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43663260
3,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619241
N-[(2-methylpyrazol-3-yl)methyl]-2-methylsulfonylaniline
CID 43724692
4-methyl-3-methylsulfonyl-N-[(1-propylpyrazol-4-yl)methyl]aniline
CID 75518391
3,4-dimethoxy-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 19619255
N,N-dimethyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 43715592
2,5-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]aniline
CID 43663220
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069
N-[(5-ethylfuran-2-yl)methyl]-4-methyl-3-methylsulfonylaniline
CID 75500026
2-hydroxy-4-[(2-methylpyrazol-3-yl)methylamino]benzoic acid
CID 19624610
1-methyl-5-[(2-methylpyrazol-3-yl)methylamino]pyridin-2-one
CID 60930659
5-amino-2-methyl-3-[(2-methylpyrazol-3-yl)methylamino]benzenesulfonamide
CID 79896397

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline?
The IUPAC name of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline (CID 75518388) is 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline.
What is the SMILES notation for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline?
The canonical SMILES for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline is Cc1ccc(NCc2ccnn2C)cc1S(C)(=O)=O.
What is the InChIKey of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline?
The InChIKey is FBXZLQLXUFSWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-4-5-11(8-13(10)19(3,17)18)14-9-12-6-7-15-16(12)2/h4-8,14H,9H2,1-3H3.
What are the key properties of 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline?
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline has a molecular weight of 279.37 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-3-methylsulfonylaniline is sourced from PubChem (CID 75518388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).