5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine

C10H19N3OS — CID 66018739

IUPAC5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(SCCOC)c1N
InChIInChI=1S/C10H19N3OS/c1-4-5-8-9(11)10(13(2)12-8)15-7-6-14-3/h4-7,11H2,1-3H3
InChIKeyANFQIYMHTLUHBL-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.69
Rot. Bonds6

About 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine

5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine (PubChem CID 66018739) has the molecular formula C10H19N3OS and a molecular weight of 229.35 g/mol. Its IUPAC name is 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
PubChem CID66018739
Molecular FormulaC10H19N3OS
Molecular Weight229.35 g/mol
Exact Mass229.12
IUPAC Name5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(SCCOC)c1N
InChIInChI=1S/C10H19N3OS/c1-4-5-8-9(11)10(13(2)12-8)15-7-6-14-3/h4-7,11H2,1-3H3
InChIKeyANFQIYMHTLUHBL-UHFFFAOYSA-N
XLogP1.69
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 ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Ethenylsulfanyl-1,3-di(propan-2-yl)pyrazol-4-amine
CID 169582415
5-Butan-2-ylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43554539
5-(2-Methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-amine
CID 43554554
5-Butylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 43615658
2-(4-Amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol
CID 43617385
1-[5-(3-Methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 55261315
1-[5-(3-Methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 55261510
5-Cyclohexylsulfanyl-1,3-dimethylpyrazol-4-amine
CID 60885741
1,3-Dimethyl-5-(oxan-4-ylsulfanyl)pyrazol-4-amine
CID 62995162
1-[5-(2-Methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]butan-2-amine
CID 63818301
1-[5-(2-Methoxyethylsulfanyl)-1,3-dimethylpyrazol-4-yl]propan-2-amine
CID 63819158
5-(3-Methoxypropylsulfanyl)-1,3-dimethylpyrazol-4-amine
CID 63857369

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The IUPAC name of 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine (CID 66018739) is 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine.
What is the SMILES notation for 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The canonical SMILES for 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine is CCCc1nn(C)c(SCCOC)c1N.
What is the InChIKey of 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
The InChIKey is ANFQIYMHTLUHBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3OS/c1-4-5-8-9(11)10(13(2)12-8)15-7-6-14-3/h4-7,11H2,1-3H3.
What are the key properties of 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine?
5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine has a molecular weight of 229.35 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylsulfanyl)-1-methyl-3-propylpyrazol-4-amine is sourced from PubChem (CID 66018739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).