3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

C8H14N4O2S — CID 102825486

IUPAC3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCn1nc(NC2CC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C8H14N4O2S/c1-12-7(9)6(15(2,13)14)8(11-12)10-5-3-4-5/h5H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyIIZQQCFOGAHYFK-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.02
Rot. Bonds3

About 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102825486) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102825486
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCn1nc(NC2CC2)c(S(C)(=O)=O)c1N
InChIInChI=1S/C8H14N4O2S/c1-12-7(9)6(15(2,13)14)8(11-12)10-5-3-4-5/h5H,3-4,9H2,1-2H3,(H,10,11)
InChIKeyIIZQQCFOGAHYFK-UHFFFAOYSA-N
XLogP-0.02
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102825486) is 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is Cn1nc(NC2CC2)c(S(C)(=O)=O)c1N.
What is the InChIKey of 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is IIZQQCFOGAHYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-12-7(9)6(15(2,13)14)8(11-12)10-5-3-4-5/h5H,3-4,9H2,1-2H3,(H,10,11).
What are the key properties of 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 230.29 g/mol, XLogP of -0.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclopropyl-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102825486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).