2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine

C10H19N3S — CID 65127516

IUPAC2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CSCC)cn1
InChIInChI=1S/C10H19N3S/c1-3-5-13-7-9(6-12-13)10(11)8-14-4-2/h6-7,10H,3-5,8,11H2,1-2H3
InChIKeyBATJUCYHXFXWPH-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.05
Rot. Bonds6

About 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine

2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 65127516) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID65127516
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(N)CSCC)cn1
InChIInChI=1S/C10H19N3S/c1-3-5-13-7-9(6-12-13)10(11)8-14-4-2/h6-7,10H,3-5,8,11H2,1-2H3
InChIKeyBATJUCYHXFXWPH-UHFFFAOYSA-N
XLogP2.05
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-propan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65132226
2-butan-2-ylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 65136012
1-(1-ethylpyrazol-4-yl)-2-(2-methylpropylsulfanyl)ethanamine
CID 65135062
3-methoxy-3-methyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 103024939
2-[(2-methylpropan-2-yl)oxy]-1-(1-propylpyrazol-4-yl)ethanamine
CID 105103681
1-(1-butylpyrazol-4-yl)propan-1-amine
CID 62731708
2,2-dimethyl-1-(1-propylpyrazol-4-yl)butan-1-amine
CID 115807994
2-amino-2-(1-propylpyrazol-4-yl)acetamide
CID 103572056
2-(2-methylpropylsulfanyl)-1-(1-propylpyrazol-4-yl)ethanol
CID 65135715
methanol;4-propan-2-yl-1-propylpyrazole
CID 164911743
4-butan-2-yl-1-propylpyrazole
CID 130194925
(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methanamine
CID 115807774

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine (CID 65127516) is 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(N)CSCC)cn1.
What is the InChIKey of 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is BATJUCYHXFXWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-3-5-13-7-9(6-12-13)10(11)8-14-4-2/h6-7,10H,3-5,8,11H2,1-2H3.
What are the key properties of 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine?
2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 213.35 g/mol, XLogP of 2.05, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 65127516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).