[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol

C10H14N4OS — CID 63835539

IUPAC[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(Sc2cnn(C)c2)c1CO
InChIInChI=1S/C10H14N4OS/c1-7-9(6-15)10(14(3)12-7)16-8-4-11-13(2)5-8/h4-5,15H,6H2,1-3H3
InChIKeyYSTTYIIKEZLPDK-UHFFFAOYSA-N
MW238.32 g/mol
LogP1.11
Rot. Bonds3

About [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol

[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol (PubChem CID 63835539) has the molecular formula C10H14N4OS and a molecular weight of 238.32 g/mol. Its IUPAC name is [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol
PubChem CID63835539
Molecular FormulaC10H14N4OS
Molecular Weight238.32 g/mol
Exact Mass238.09
IUPAC Name[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol
SMILESCc1nn(C)c(Sc2cnn(C)c2)c1CO
InChIInChI=1S/C10H14N4OS/c1-7-9(6-15)10(14(3)12-7)16-8-4-11-13(2)5-8/h4-5,15H,6H2,1-3H3
InChIKeyYSTTYIIKEZLPDK-UHFFFAOYSA-N
XLogP1.11
TPSA55.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol?
The IUPAC name of [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol (CID 63835539) is [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol.
What is the SMILES notation for [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol?
The canonical SMILES for [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol is Cc1nn(C)c(Sc2cnn(C)c2)c1CO.
What is the InChIKey of [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol?
The InChIKey is YSTTYIIKEZLPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4OS/c1-7-9(6-15)10(14(3)12-7)16-8-4-11-13(2)5-8/h4-5,15H,6H2,1-3H3.
What are the key properties of [1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol?
[1,3-dimethyl-5-(1-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol has a molecular weight of 238.32 g/mol, XLogP of 1.11, 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-methylpyrazol-4-yl)sulfanylpyrazol-4-yl]methanol is sourced from PubChem (CID 63835539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).