[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol

C9H11N3OS2 — CID 63835525

IUPAC[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(Sc2nccs2)c1CO
InChIInChI=1S/C9H11N3OS2/c1-6-7(5-13)8(12(2)11-6)15-9-10-3-4-14-9/h3-4,13H,5H2,1-2H3
InChIKeyYOCPFMLIJZUUCC-UHFFFAOYSA-N
MW241.34 g/mol
LogP1.83
Rot. Bonds3

About [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol

[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol (PubChem CID 63835525) has the molecular formula C9H11N3OS2 and a molecular weight of 241.34 g/mol. Its IUPAC name is [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol
PubChem CID63835525
Molecular FormulaC9H11N3OS2
Molecular Weight241.34 g/mol
Exact Mass241.03
IUPAC Name[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol
SMILESCc1nn(C)c(Sc2nccs2)c1CO
InChIInChI=1S/C9H11N3OS2/c1-6-7(5-13)8(12(2)11-6)15-9-10-3-4-14-9/h3-4,13H,5H2,1-2H3
InChIKeyYOCPFMLIJZUUCC-UHFFFAOYSA-N
XLogP1.83
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol (CID 63835525) is [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol is Cc1nn(C)c(Sc2nccs2)c1CO.
What is the InChIKey of [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol?
The InChIKey is YOCPFMLIJZUUCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS2/c1-6-7(5-13)8(12(2)11-6)15-9-10-3-4-14-9/h3-4,13H,5H2,1-2H3.
What are the key properties of [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol?
[1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol has a molecular weight of 241.34 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,3-dimethyl-5-(1,3-thiazol-2-ylsulfanyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 63835525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).