N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine

C11H21N3S — CID 103009884

IUPACN-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
SMILESCCNC(CCc1ccnn1C)CSC
InChIInChI=1S/C11H21N3S/c1-4-12-10(9-15-3)5-6-11-7-8-13-14(11)2/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyQQRJFNNZKQEIBH-UHFFFAOYSA-N
MW227.38 g/mol
LogP1.69
Rot. Bonds7

About N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine

N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine (PubChem CID 103009884) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
PubChem CID103009884
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC NameN-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine
SMILESCCNC(CCc1ccnn1C)CSC
InChIInChI=1S/C11H21N3S/c1-4-12-10(9-15-3)5-6-11-7-8-13-14(11)2/h7-8,10,12H,4-6,9H2,1-3H3
InChIKeyQQRJFNNZKQEIBH-UHFFFAOYSA-N
XLogP1.69
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-bromophenyl)sulfanyl-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103010950
N-ethyl-1-(2-methylphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030444
1-(2,6-dichlorophenyl)-N-ethyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009693
N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
CID 103030436
1-(2,2-difluoroethoxy)-N-ethyl-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103149610
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-cyclobutyl-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103010387
N-ethyl-1-(3-fluorophenyl)-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103009449
6,6,6-trifluoro-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103011409
1-(2-methylpyrazol-3-yl)-5-phenyl-N-propylpentan-3-amine
CID 103009511
1-(1,3-diethylpyrazol-5-yl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103030515
N-ethyl-1-(3-methylimidazol-4-yl)-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012068

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine?
The IUPAC name of N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine (CID 103009884) is N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine?
The canonical SMILES for N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine is CCNC(CCc1ccnn1C)CSC.
What is the InChIKey of N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine?
The InChIKey is QQRJFNNZKQEIBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-4-12-10(9-15-3)5-6-11-7-8-13-14(11)2/h7-8,10,12H,4-6,9H2,1-3H3.
What are the key properties of N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine?
N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine has a molecular weight of 227.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpyrazol-3-yl)-1-methylsulfanylbutan-2-amine is sourced from PubChem (CID 103009884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).