1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine

C10H19N5O2S — CID 102825487

IUPAC1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
SMILESCC1CN(c2nn(C)c(N)c2S(C)(=O)=O)CCN1
InChIInChI=1S/C10H19N5O2S/c1-7-6-15(5-4-12-7)10-8(18(3,16)17)9(11)14(2)13-10/h7,12H,4-6,11H2,1-3H3
InChIKeyALBIFEKRQLXKLD-UHFFFAOYSA-N
MW273.36 g/mol
LogP-0.80
Rot. Bonds2

About 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine

1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine (PubChem CID 102825487) has the molecular formula C10H19N5O2S and a molecular weight of 273.36 g/mol. Its IUPAC name is 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
PubChem CID102825487
Molecular FormulaC10H19N5O2S
Molecular Weight273.36 g/mol
Exact Mass273.13
IUPAC Name1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine
SMILESCC1CN(c2nn(C)c(N)c2S(C)(=O)=O)CCN1
InChIInChI=1S/C10H19N5O2S/c1-7-6-15(5-4-12-7)10-8(18(3,16)17)9(11)14(2)13-10/h7,12H,4-6,11H2,1-3H3
InChIKeyALBIFEKRQLXKLD-UHFFFAOYSA-N
XLogP-0.80
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The IUPAC name of 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine (CID 102825487) is 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine is CC1CN(c2nn(C)c(N)c2S(C)(=O)=O)CCN1.
What is the InChIKey of 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
The InChIKey is ALBIFEKRQLXKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N5O2S/c1-7-6-15(5-4-12-7)10-8(18(3,16)17)9(11)14(2)13-10/h7,12H,4-6,11H2,1-3H3.
What are the key properties of 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine?
1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine has a molecular weight of 273.36 g/mol, XLogP of -0.80, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(3-methylpiperazin-1-yl)-4-methylsulfonylpyrazol-5-amine is sourced from PubChem (CID 102825487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).