5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine

C13H26N4S — CID 112656930

IUPAC5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(CSC)N(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4S/c1-7-10(8-18-6)16(4)13-11(14)12(9(2)3)15-17(13)5/h9-10H,7-8,14H2,1-6H3
InChIKeyWCKVDNZIZKXYBV-UHFFFAOYSA-N
MW270.45 g/mol
LogP2.70
Rot. Bonds6

About 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine

5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine (PubChem CID 112656930) has the molecular formula C13H26N4S and a molecular weight of 270.45 g/mol. Its IUPAC name is 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine.

Molecular Properties

Compound Name5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
PubChem CID112656930
Molecular FormulaC13H26N4S
Molecular Weight270.45 g/mol
Exact Mass270.19
IUPAC Name5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine
SMILESCCC(CSC)N(C)c1c(N)c(C(C)C)nn1C
InChIInChI=1S/C13H26N4S/c1-7-10(8-18-6)16(4)13-11(14)12(9(2)3)15-17(13)5/h9-10H,7-8,14H2,1-6H3
InChIKeyWCKVDNZIZKXYBV-UHFFFAOYSA-N
XLogP2.70
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.45
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The IUPAC name of 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine (CID 112656930) is 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine.
What is the SMILES notation for 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The canonical SMILES for 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine is CCC(CSC)N(C)c1c(N)c(C(C)C)nn1C.
What is the InChIKey of 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine?
The InChIKey is WCKVDNZIZKXYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4S/c1-7-10(8-18-6)16(4)13-11(14)12(9(2)3)15-17(13)5/h9-10H,7-8,14H2,1-6H3.
What are the key properties of 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine?
5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine has a molecular weight of 270.45 g/mol, XLogP of 2.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N,1-dimethyl-5-N-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylpyrazole-4,5-diamine is sourced from PubChem (CID 112656930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).