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

C12H25N5O2S — CID 102826189

IUPAC1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
SMILESCCCN(C)c1nn(CCN(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H25N5O2S/c1-6-7-16(4)12-10(20(5,18)19)11(13)17(14-12)9-8-15(2)3/h6-9,13H2,1-5H3
InChIKeyROGSXHDHAFLWIP-UHFFFAOYSA-N
MW303.43 g/mol
LogP0.28
Rot. Bonds7

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

1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine (PubChem CID 102826189) has the molecular formula C12H25N5O2S and a molecular weight of 303.43 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
PubChem CID102826189
Molecular FormulaC12H25N5O2S
Molecular Weight303.43 g/mol
Exact Mass303.17
IUPAC Name1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine
SMILESCCCN(C)c1nn(CCN(C)C)c(N)c1S(C)(=O)=O
InChIInChI=1S/C12H25N5O2S/c1-6-7-16(4)12-10(20(5,18)19)11(13)17(14-12)9-8-15(2)3/h6-9,13H2,1-5H3
InChIKeyROGSXHDHAFLWIP-UHFFFAOYSA-N
XLogP0.28
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 50.28
H-Bond Donors ≤ 51
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-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
The IUPAC name of 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine (CID 102826189) is 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine is CCCN(C)c1nn(CCN(C)C)c(N)c1S(C)(=O)=O.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
The InChIKey is ROGSXHDHAFLWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N5O2S/c1-6-7-16(4)12-10(20(5,18)19)11(13)17(14-12)9-8-15(2)3/h6-9,13H2,1-5H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine?
1-[2-(dimethylamino)ethyl]-3-N-methyl-4-methylsulfonyl-3-N-propylpyrazole-3,5-diamine has a molecular weight of 303.43 g/mol, XLogP of 0.28, 7 rotatable bonds, 1 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-methylsulfonyl-3-N-propylpyrazole-3,5-diamine is sourced from PubChem (CID 102826189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).