3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine

C10H19N3OS — CID 63072187

IUPAC3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1cc(C)nn1C
InChIInChI=1S/C10H19N3OS/c1-4-14-9(6-11)7-15-10-5-8(2)12-13(10)3/h5,9H,4,6-7,11H2,1-3H3
InChIKeyWPELQESPYLDMMD-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.18
Rot. Bonds6

About 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine

3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine (PubChem CID 63072187) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine.

Molecular Properties

Compound Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
PubChem CID63072187
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine
SMILESCCOC(CN)CSc1cc(C)nn1C
InChIInChI=1S/C10H19N3OS/c1-4-14-9(6-11)7-15-10-5-8(2)12-13(10)3/h5,9H,4,6-7,11H2,1-3H3
InChIKeyWPELQESPYLDMMD-UHFFFAOYSA-N
XLogP1.18
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(2,5-dimethylpyrazol-3-yl)sulfanylpropan-1-ol
CID 64806110
3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-ethoxypropan-1-amine
CID 63404886
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethylpropan-2-amine
CID 64634995
1-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanylbutan-2-ol
CID 64813400
1-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-propylpropan-2-amine
CID 64634986
3-(4-chlorophenyl)sulfanyl-2-ethoxypropan-1-amine
CID 63069685
ethyl 5-(2,5-dimethylpyrazol-3-yl)sulfanyl-4-oxopentanoate
CID 103485728
propan-2-yl 2-(2,5-dimethylpyrazol-3-yl)sulfanylacetate
CID 62408199
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-(methylamino)propanenitrile
CID 62403772
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-3,3,3-trifluoropropan-1-amine
CID 62408594
2-(2,5-dimethylpyrazol-3-yl)sulfanyl-N-ethyl-1-(4-methoxyphenyl)ethanamine
CID 64634610
ethyl 2-amino-4-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-methylbutanoate
CID 62403592

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine?
The IUPAC name of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine (CID 63072187) is 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine.
What is the SMILES notation for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine?
The canonical SMILES for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine is CCOC(CN)CSc1cc(C)nn1C.
What is the InChIKey of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine?
The InChIKey is WPELQESPYLDMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-14-9(6-11)7-15-10-5-8(2)12-13(10)3/h5,9H,4,6-7,11H2,1-3H3.
What are the key properties of 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine?
3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dimethylpyrazol-3-yl)sulfanyl-2-ethoxypropan-1-amine is sourced from PubChem (CID 63072187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).