1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine

C8H16N4O2S — CID 102825476

IUPAC1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
SMILESCC(C)Nc1nn(C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-5(2)10-8-6(15(4,13)14)7(9)12(3)11-8/h5H,9H2,1-4H3,(H,10,11)
InChIKeyAWLQZJLKERIDGD-UHFFFAOYSA-N
MW232.31 g/mol
LogP0.23
Rot. Bonds3

About 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine

1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine (PubChem CID 102825476) has the molecular formula C8H16N4O2S and a molecular weight of 232.31 g/mol. Its IUPAC name is 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
PubChem CID102825476
Molecular FormulaC8H16N4O2S
Molecular Weight232.31 g/mol
Exact Mass232.10
IUPAC Name1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine
SMILESCC(C)Nc1nn(C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C8H16N4O2S/c1-5(2)10-8-6(15(4,13)14)7(9)12(3)11-8/h5H,9H2,1-4H3,(H,10,11)
InChIKeyAWLQZJLKERIDGD-UHFFFAOYSA-N
XLogP0.23
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.31
LogP ≤ 50.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
The IUPAC name of 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine (CID 102825476) is 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine.
What is the SMILES notation for 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
The canonical SMILES for 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine is CC(C)Nc1nn(C)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
The InChIKey is AWLQZJLKERIDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N4O2S/c1-5(2)10-8-6(15(4,13)14)7(9)12(3)11-8/h5H,9H2,1-4H3,(H,10,11).
What are the key properties of 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine?
1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine has a molecular weight of 232.31 g/mol, XLogP of 0.23, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-methylsulfonyl-3-N-propan-2-ylpyrazole-3,5-diamine is sourced from PubChem (CID 102825476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).