1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine

C9H19N5O2S — CID 102826188

IUPAC1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCNc1nn(CCN(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C9H19N5O2S/c1-11-9-7(17(4,15)16)8(10)14(12-9)6-5-13(2)3/h5-6,10H2,1-4H3,(H,11,12)
InChIKeyQZJDOUGDPCLPSF-UHFFFAOYSA-N
MW261.35 g/mol
LogP-0.53
Rot. Bonds5

About 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine

1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (PubChem CID 102826188) has the molecular formula C9H19N5O2S and a molecular weight of 261.35 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
PubChem CID102826188
Molecular FormulaC9H19N5O2S
Molecular Weight261.35 g/mol
Exact Mass261.13
IUPAC Name1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine
SMILESCNc1nn(CCN(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C9H19N5O2S/c1-11-9-7(17(4,15)16)8(10)14(12-9)6-5-13(2)3/h5-6,10H2,1-4H3,(H,11,12)
InChIKeyQZJDOUGDPCLPSF-UHFFFAOYSA-N
XLogP-0.53
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine (CID 102826188) is 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is CNc1nn(CCN(C)C)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
The InChIKey is QZJDOUGDPCLPSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5O2S/c1-11-9-7(17(4,15)16)8(10)14(12-9)6-5-13(2)3/h5-6,10H2,1-4H3,(H,11,12).
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine?
1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine has a molecular weight of 261.35 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonylpyrazole-3,5-diamine is sourced from PubChem (CID 102826188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).