1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine

C10H17N3OS — CID 79327155

IUPAC1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(SC2COC2)c1N
InChIInChI=1S/C10H17N3OS/c1-3-4-8-9(11)10(13(2)12-8)15-7-5-14-6-7/h7H,3-6,11H2,1-2H3
InChIKeyAEYZYSWAAZNMAV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.45
Rot. Bonds4

About 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine

1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine (PubChem CID 79327155) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine.

Molecular Properties

Compound Name1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine
PubChem CID79327155
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine
SMILESCCCc1nn(C)c(SC2COC2)c1N
InChIInChI=1S/C10H17N3OS/c1-3-4-8-9(11)10(13(2)12-8)15-7-5-14-6-7/h7H,3-6,11H2,1-2H3
InChIKeyAEYZYSWAAZNMAV-UHFFFAOYSA-N
XLogP1.45
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine?
The IUPAC name of 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine (CID 79327155) is 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine.
What is the SMILES notation for 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine?
The canonical SMILES for 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine is CCCc1nn(C)c(SC2COC2)c1N.
What is the InChIKey of 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine?
The InChIKey is AEYZYSWAAZNMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-4-8-9(11)10(13(2)12-8)15-7-5-14-6-7/h7H,3-6,11H2,1-2H3.
What are the key properties of 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine?
1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine has a molecular weight of 227.33 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(oxetan-3-ylsulfanyl)-3-propylpyrazol-4-amine is sourced from PubChem (CID 79327155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).