1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine

C12H16N4O2S — CID 79524226

IUPAC1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine
SMILESCn1ncc(CNc2ccc(S(C)(=O)=O)cc2)c1N
InChIInChI=1S/C12H16N4O2S/c1-16-12(13)9(8-15-16)7-14-10-3-5-11(6-4-10)19(2,17)18/h3-6,8,14H,7,13H2,1-2H3
InChIKeyUUUAOYMZTIURTL-UHFFFAOYSA-N
MW280.35 g/mol
LogP1.02
Rot. Bonds4

About 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine

1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine (PubChem CID 79524226) has the molecular formula C12H16N4O2S and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine
PubChem CID79524226
Molecular FormulaC12H16N4O2S
Molecular Weight280.35 g/mol
Exact Mass280.10
IUPAC Name1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine
SMILESCn1ncc(CNc2ccc(S(C)(=O)=O)cc2)c1N
InChIInChI=1S/C12H16N4O2S/c1-16-12(13)9(8-15-16)7-14-10-3-5-11(6-4-10)19(2,17)18/h3-6,8,14H,7,13H2,1-2H3
InChIKeyUUUAOYMZTIURTL-UHFFFAOYSA-N
XLogP1.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine?
The IUPAC name of 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine (CID 79524226) is 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine.
What is the SMILES notation for 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine?
The canonical SMILES for 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine is Cn1ncc(CNc2ccc(S(C)(=O)=O)cc2)c1N.
What is the InChIKey of 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine?
The InChIKey is UUUAOYMZTIURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S/c1-16-12(13)9(8-15-16)7-14-10-3-5-11(6-4-10)19(2,17)18/h3-6,8,14H,7,13H2,1-2H3.
What are the key properties of 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine?
1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine has a molecular weight of 280.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(4-methylsulfonylanilino)methyl]pyrazol-5-amine is sourced from PubChem (CID 79524226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).