1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine

C10H20N4O2S — CID 66013458

IUPAC1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H20N4O2S/c1-5-14-10(9(11)8(3)13-14)12-7(2)6-17(4,15)16/h7,12H,5-6,11H2,1-4H3
InChIKeyULPFTFQPSAXCNB-UHFFFAOYSA-N
MW260.36 g/mol
LogP0.64
Rot. Bonds5

About 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine

1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine (PubChem CID 66013458) has the molecular formula C10H20N4O2S and a molecular weight of 260.36 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine
PubChem CID66013458
Molecular FormulaC10H20N4O2S
Molecular Weight260.36 g/mol
Exact Mass260.13
IUPAC Name1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC(C)CS(C)(=O)=O
InChIInChI=1S/C10H20N4O2S/c1-5-14-10(9(11)8(3)13-14)12-7(2)6-17(4,15)16/h7,12H,5-6,11H2,1-4H3
InChIKeyULPFTFQPSAXCNB-UHFFFAOYSA-N
XLogP0.64
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.36
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine (CID 66013458) is 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NC(C)CS(C)(=O)=O.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine?
The InChIKey is ULPFTFQPSAXCNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O2S/c1-5-14-10(9(11)8(3)13-14)12-7(2)6-17(4,15)16/h7,12H,5-6,11H2,1-4H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine has a molecular weight of 260.36 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(1-methylsulfonylpropan-2-yl)pyrazole-4,5-diamine is sourced from PubChem (CID 66013458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).