N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

C10H20N4S — CID 112660793

IUPACN'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)CC(N)c1cnn(C)c1
InChIInChI=1S/C10H20N4S/c1-13(4-5-15-3)8-10(11)9-6-12-14(2)7-9/h6-7,10H,4-5,8,11H2,1-3H3
InChIKeyNFWVEGQGOBVJNN-UHFFFAOYSA-N
MW228.36 g/mol
LogP0.71
Rot. Bonds6

About N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine

N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (PubChem CID 112660793) has the molecular formula C10H20N4S and a molecular weight of 228.36 g/mol. Its IUPAC name is N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
PubChem CID112660793
Molecular FormulaC10H20N4S
Molecular Weight228.36 g/mol
Exact Mass228.14
IUPAC NameN'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
SMILESCSCCN(C)CC(N)c1cnn(C)c1
InChIInChI=1S/C10H20N4S/c1-13(4-5-15-3)8-10(11)9-6-12-14(2)7-9/h6-7,10H,4-5,8,11H2,1-3H3
InChIKeyNFWVEGQGOBVJNN-UHFFFAOYSA-N
XLogP0.71
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N'-methyl-1-(1-methylpyrazol-4-yl)-N'-propylethane-1,2-diamine
CID 115291130
1-(1-methylpyrazol-4-yl)-N',N'-dipropylethane-1,2-diamine
CID 115291096
2-amino-N-methyl-2-(1-methylpyrazol-4-yl)-N-(2-methylsulfanylethyl)acetamide
CID 112658924
N'-[2-(cyclopropylmethoxy)ethyl]-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291370
N'-methyl-N'-[(2-methylcyclopropyl)methyl]-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291322
N'-(cyclopentylmethyl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 115291313
(2S)-2-amino-2-(1-methylpyrazol-4-yl)ethanol
CID 93471722
N',N'-bis(2-methoxyethyl)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280024
N'-[2-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994511
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 113280046
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 115291144
(1R)-1-(1-methylpyrazol-4-yl)ethane-1,2-diamine
CID 93094324

Frequently Asked Questions

What is the IUPAC name of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The IUPAC name of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine (CID 112660793) is N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The canonical SMILES for N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is CSCCN(C)CC(N)c1cnn(C)c1.
What is the InChIKey of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
The InChIKey is NFWVEGQGOBVJNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4S/c1-13(4-5-15-3)8-10(11)9-6-12-14(2)7-9/h6-7,10H,4-5,8,11H2,1-3H3.
What are the key properties of N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine?
N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine has a molecular weight of 228.36 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-1-(1-methylpyrazol-4-yl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine is sourced from PubChem (CID 112660793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).