2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline

C13H17N3O2S — CID 43685075

IUPAC2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NCc1cnn(C)c1
InChIInChI=1S/C13H17N3O2S/c1-10-4-5-12(19(3,17)18)6-13(10)14-7-11-8-15-16(2)9-11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyPBEKRURLPNUCGR-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.74
Rot. Bonds4

About 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline

2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline (PubChem CID 43685075) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline.

Molecular Properties

Compound Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
PubChem CID43685075
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC Name2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline
SMILESCc1ccc(S(C)(=O)=O)cc1NCc1cnn(C)c1
InChIInChI=1S/C13H17N3O2S/c1-10-4-5-12(19(3,17)18)6-13(10)14-7-11-8-15-16(2)9-11/h4-6,8-9,14H,7H2,1-3H3
InChIKeyPBEKRURLPNUCGR-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

Analyze 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline with MolForge

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

Launch Full Analysis

Related Compounds

N-[(1-methylpyrazol-4-yl)methyl]-3-methylsulfonylaniline
CID 54861574
3-[[1-(2-hydroxyethyl)pyrazol-4-yl]methylamino]-4-methylbenzenesulfonamide
CID 64830945
N-[(3-bromo-4-methylphenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 105401189
N-[(3-fluoro-4-methylphenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 63644519
4-[(2-methyl-5-methylsulfonylanilino)methyl]benzene-1,2-diol
CID 43685118
5-amino-2-methyl-3-[(1-methylpyrazol-4-yl)methylamino]benzenesulfonamide
CID 79896384
N-[(3-bromophenyl)methyl]-2-methyl-5-methylsulfonylaniline
CID 43234751
N-[(2-ethylpyrazol-3-yl)methyl]-2-methyl-5-methylsulfonylaniline
CID 114555098
N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]-2,4-bis(methylsulfonyl)aniline
CID 133411678
2-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]benzene-1,4-diamine
CID 61350782
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701573
4-methoxy-2-methyl-N-[(1-methylpyrazol-4-yl)methyl]aniline
CID 62865764

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline?
The IUPAC name of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline (CID 43685075) is 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline.
What is the SMILES notation for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline?
The canonical SMILES for 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline is Cc1ccc(S(C)(=O)=O)cc1NCc1cnn(C)c1.
What is the InChIKey of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline?
The InChIKey is PBEKRURLPNUCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-10-4-5-12(19(3,17)18)6-13(10)14-7-11-8-15-16(2)9-11/h4-6,8-9,14H,7H2,1-3H3.
What are the key properties of 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline?
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-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 2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-methylsulfonylaniline is sourced from PubChem (CID 43685075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).