5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine

C12H24N4S — CID 114115588

IUPAC5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCCC(CC)(CNc1c(N)c(C)nn1C)SC
InChIInChI=1S/C12H24N4S/c1-6-12(7-2,17-5)8-14-11-10(13)9(3)15-16(11)4/h14H,6-8,13H2,1-5H3
InChIKeyWNAVXZGETMEGBZ-UHFFFAOYSA-N
MW256.42 g/mol
LogP2.64
Rot. Bonds6

About 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine

5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine (PubChem CID 114115588) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine
PubChem CID114115588
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine
SMILESCCC(CC)(CNc1c(N)c(C)nn1C)SC
InChIInChI=1S/C12H24N4S/c1-6-12(7-2,17-5)8-14-11-10(13)9(3)15-16(11)4/h14H,6-8,13H2,1-5H3
InChIKeyWNAVXZGETMEGBZ-UHFFFAOYSA-N
XLogP2.64
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine?
The IUPAC name of 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine (CID 114115588) is 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine?
The canonical SMILES for 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine is CCC(CC)(CNc1c(N)c(C)nn1C)SC.
What is the InChIKey of 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine?
The InChIKey is WNAVXZGETMEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-6-12(7-2,17-5)8-14-11-10(13)9(3)15-16(11)4/h14H,6-8,13H2,1-5H3.
What are the key properties of 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine?
5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine has a molecular weight of 256.42 g/mol, XLogP of 2.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(2-ethyl-2-methylsulfanylbutyl)-1,3-dimethylpyrazole-4,5-diamine is sourced from PubChem (CID 114115588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).