2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol

C7H13N3OS — CID 43617385

IUPAC2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol
SMILESCc1nn(C)c(SCCO)c1N
InChIInChI=1S/C7H13N3OS/c1-5-6(8)7(10(2)9-5)12-4-3-11/h11H,3-4,8H2,1-2H3
InChIKeyOSHHPMICSXAXGT-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.40
Rot. Bonds3

About 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol

2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol (PubChem CID 43617385) has the molecular formula C7H13N3OS and a molecular weight of 187.27 g/mol. Its IUPAC name is 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol
PubChem CID43617385
Molecular FormulaC7H13N3OS
Molecular Weight187.27 g/mol
Exact Mass187.08
IUPAC Name2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol
SMILESCc1nn(C)c(SCCO)c1N
InChIInChI=1S/C7H13N3OS/c1-5-6(8)7(10(2)9-5)12-4-3-11/h11H,3-4,8H2,1-2H3
InChIKeyOSHHPMICSXAXGT-UHFFFAOYSA-N
XLogP0.40
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol?
The IUPAC name of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol (CID 43617385) is 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol.
What is the SMILES notation for 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol?
The canonical SMILES for 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol is Cc1nn(C)c(SCCO)c1N.
What is the InChIKey of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol?
The InChIKey is OSHHPMICSXAXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3OS/c1-5-6(8)7(10(2)9-5)12-4-3-11/h11H,3-4,8H2,1-2H3.
What are the key properties of 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol?
2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol has a molecular weight of 187.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-1,3-dimethylpyrazol-5-yl)sulfanylethanol is sourced from PubChem (CID 43617385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).