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

C12H22N4S — CID 114121291

IUPAC1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC1CCCC1SC
InChIInChI=1S/C12H22N4S/c1-4-16-12(11(13)8(2)15-16)14-9-6-5-7-10(9)17-3/h9-10,14H,4-7,13H2,1-3H3
InChIKeyXKWCCCODUQAKHC-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.49
Rot. Bonds4

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

1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine (PubChem CID 114121291) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine
PubChem CID114121291
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NC1CCCC1SC
InChIInChI=1S/C12H22N4S/c1-4-16-12(11(13)8(2)15-16)14-9-6-5-7-10(9)17-3/h9-10,14H,4-7,13H2,1-3H3
InChIKeyXKWCCCODUQAKHC-UHFFFAOYSA-N
XLogP2.49
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine (CID 114121291) is 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NC1CCCC1SC.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine?
The InChIKey is XKWCCCODUQAKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-16-12(11(13)8(2)15-16)14-9-6-5-7-10(9)17-3/h9-10,14H,4-7,13H2,1-3H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine has a molecular weight of 254.40 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(2-methylsulfanylcyclopentyl)pyrazole-4,5-diamine is sourced from PubChem (CID 114121291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).