(1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol

C9H14N2OS — CID 103130677

IUPAC(1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol
SMILESCn1ccc(C(O)C2CCCS2)n1
InChIInChI=1S/C9H14N2OS/c1-11-5-4-7(10-11)9(12)8-3-2-6-13-8/h4-5,8-9,12H,2-3,6H2,1H3
InChIKeyJEIJVSKLSYBKAV-UHFFFAOYSA-N
MW198.29 g/mol
LogP1.35
Rot. Bonds2

About (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol

(1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol (PubChem CID 103130677) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol.

Molecular Properties

Compound Name(1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol
PubChem CID103130677
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name(1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol
SMILESCn1ccc(C(O)C2CCCS2)n1
InChIInChI=1S/C9H14N2OS/c1-11-5-4-7(10-11)9(12)8-3-2-6-13-8/h4-5,8-9,12H,2-3,6H2,1H3
InChIKeyJEIJVSKLSYBKAV-UHFFFAOYSA-N
XLogP1.35
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol?
The IUPAC name of (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol (CID 103130677) is (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol.
What is the SMILES notation for (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol?
The canonical SMILES for (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol is Cn1ccc(C(O)C2CCCS2)n1.
What is the InChIKey of (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol?
The InChIKey is JEIJVSKLSYBKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-11-5-4-7(10-11)9(12)8-3-2-6-13-8/h4-5,8-9,12H,2-3,6H2,1H3.
What are the key properties of (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol?
(1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol has a molecular weight of 198.29 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-3-yl)-(thiolan-2-yl)methanol is sourced from PubChem (CID 103130677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).