3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine

C10H17N3OS — CID 79326156

IUPAC3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(SC2COC2)c1N
InChIInChI=1S/C10H17N3OS/c1-6(2)13-10(9(11)7(3)12-13)15-8-4-14-5-8/h6,8H,4-5,11H2,1-3H3
InChIKeyVWTGWAVVIRMLKV-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.85
Rot. Bonds3

About 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine

3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine (PubChem CID 79326156) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine.

Molecular Properties

Compound Name3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine
PubChem CID79326156
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine
SMILESCc1nn(C(C)C)c(SC2COC2)c1N
InChIInChI=1S/C10H17N3OS/c1-6(2)13-10(9(11)7(3)12-13)15-8-4-14-5-8/h6,8H,4-5,11H2,1-3H3
InChIKeyVWTGWAVVIRMLKV-UHFFFAOYSA-N
XLogP1.85
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine?
The IUPAC name of 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine (CID 79326156) is 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine.
What is the SMILES notation for 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine?
The canonical SMILES for 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine is Cc1nn(C(C)C)c(SC2COC2)c1N.
What is the InChIKey of 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine?
The InChIKey is VWTGWAVVIRMLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-6(2)13-10(9(11)7(3)12-13)15-8-4-14-5-8/h6,8H,4-5,11H2,1-3H3.
What are the key properties of 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine?
3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine has a molecular weight of 227.33 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(oxetan-3-ylsulfanyl)-1-propan-2-ylpyrazol-4-amine is sourced from PubChem (CID 79326156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).