3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine

C10H19N3OS — CID 81186505

IUPAC3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine
SMILESCCc1cc(CS(=O)CCCN)n(C)n1
InChIInChI=1S/C10H19N3OS/c1-3-9-7-10(13(2)12-9)8-15(14)6-4-5-11/h7H,3-6,8,11H2,1-2H3
InChIKeyGNZZXMTUKWLAGD-UHFFFAOYSA-N
MW229.35 g/mol
LogP0.58
Rot. Bonds6

About 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine

3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine (PubChem CID 81186505) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine
PubChem CID81186505
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine
SMILESCCc1cc(CS(=O)CCCN)n(C)n1
InChIInChI=1S/C10H19N3OS/c1-3-9-7-10(13(2)12-9)8-15(14)6-4-5-11/h7H,3-6,8,11H2,1-2H3
InChIKeyGNZZXMTUKWLAGD-UHFFFAOYSA-N
XLogP0.58
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]-2-fluoroaniline
CID 81191085
3-(1-methyl-5-propylpyrazol-3-yl)propan-1-amine
CID 105439768
[2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclopentyl]methanamine
CID 81009696
1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylsulfonylpropan-2-amine
CID 115649859
1-[(1,3-diethylpyrazol-5-yl)methylsulfinyl]propan-2-amine
CID 81190010
(2S)-2-amino-3-(3-ethyl-1-methylpyrazol-5-yl)propanoic acid
CID 96758713
3-[(5-ethylthiophen-2-yl)methylsulfinyl]propan-1-amine
CID 81188028
2-(aminomethyl)-2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-5,5-dimethylcyclopentan-1-ol
CID 79867248
1-(3-ethyl-1-methylpyrazol-5-yl)undecan-2-amine
CID 104999148
1-(3-ethyl-1-methylpyrazol-5-yl)-5-hydroxypentan-2-one
CID 106677524
1-[(3-ethyl-1-methylpyrazol-5-yl)methyl]cyclooctan-1-amine
CID 80603738
1-(3-ethyl-1-methylpyrazol-5-yl)propan-2-ylhydrazine
CID 105201388

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine (CID 81186505) is 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine is CCc1cc(CS(=O)CCCN)n(C)n1.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine?
The InChIKey is GNZZXMTUKWLAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-3-9-7-10(13(2)12-9)8-15(14)6-4-5-11/h7H,3-6,8,11H2,1-2H3.
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine?
3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine has a molecular weight of 229.35 g/mol, XLogP of 0.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-5-yl)methylsulfinyl]propan-1-amine is sourced from PubChem (CID 81186505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).