3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

C10H18N4O2S — CID 102825488

IUPAC3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCC(Nc1nn(C)c(N)c1S(C)(=O)=O)C1CC1
InChIInChI=1S/C10H18N4O2S/c1-6(7-4-5-7)12-10-8(17(3,15)16)9(11)14(2)13-10/h6-7H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyJZUKLDCFQIQSHH-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.62
Rot. Bonds4

About 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine

3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102825488) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102825488
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCC(Nc1nn(C)c(N)c1S(C)(=O)=O)C1CC1
InChIInChI=1S/C10H18N4O2S/c1-6(7-4-5-7)12-10-8(17(3,15)16)9(11)14(2)13-10/h6-7H,4-5,11H2,1-3H3,(H,12,13)
InChIKeyJZUKLDCFQIQSHH-UHFFFAOYSA-N
XLogP0.62
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102825488) is 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is CC(Nc1nn(C)c(N)c1S(C)(=O)=O)C1CC1.
What is the InChIKey of 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is JZUKLDCFQIQSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-6(7-4-5-7)12-10-8(17(3,15)16)9(11)14(2)13-10/h6-7H,4-5,11H2,1-3H3,(H,12,13).
What are the key properties of 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine?
3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 258.35 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1-cyclopropylethyl)-1-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102825488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).