N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine

C9H17N3S — CID 170601695

IUPACN-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1cc(SC)nn1CC
InChIInChI=1S/C9H17N3S/c1-4-10-7-8-6-9(13-3)11-12(8)5-2/h6,10H,4-5,7H2,1-3H3
InChIKeyPZMMLSDSRZBHCO-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.73
Rot. Bonds5

About N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine

N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine (PubChem CID 170601695) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine
PubChem CID170601695
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC NameN-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine
SMILESCCNCc1cc(SC)nn1CC
InChIInChI=1S/C9H17N3S/c1-4-10-7-8-6-9(13-3)11-12(8)5-2/h6,10H,4-5,7H2,1-3H3
InChIKeyPZMMLSDSRZBHCO-UHFFFAOYSA-N
XLogP1.73
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine?
The IUPAC name of N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine (CID 170601695) is N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine is CCNCc1cc(SC)nn1CC.
What is the InChIKey of N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine?
The InChIKey is PZMMLSDSRZBHCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-4-10-7-8-6-9(13-3)11-12(8)5-2/h6,10H,4-5,7H2,1-3H3.
What are the key properties of N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine?
N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine has a molecular weight of 199.32 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-3-methylsulfanylpyrazol-5-yl)methyl]ethanamine is sourced from PubChem (CID 170601695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).