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

C12H22N4O2S — CID 102826107

IUPAC1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCN(C)c1nn(C(C)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-5-15(3)12-10(19(4,17)18)11(13)16(14-12)8(2)9-6-7-9/h8-9H,5-7,13H2,1-4H3
InChIKeyMBJOIXLBFMHDRJ-UHFFFAOYSA-N
MW286.40 g/mol
LogP1.30
Rot. Bonds5

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

1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102826107) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102826107
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCCN(C)c1nn(C(C)C2CC2)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H22N4O2S/c1-5-15(3)12-10(19(4,17)18)11(13)16(14-12)8(2)9-6-7-9/h8-9H,5-7,13H2,1-4H3
InChIKeyMBJOIXLBFMHDRJ-UHFFFAOYSA-N
XLogP1.30
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102826107) is 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is CCN(C)c1nn(C(C)C2CC2)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is MBJOIXLBFMHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-5-15(3)12-10(19(4,17)18)11(13)16(14-12)8(2)9-6-7-9/h8-9H,5-7,13H2,1-4H3.
What are the key properties of 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 286.40 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-N-ethyl-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102826107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).