1-(2-phenylsulfanylethyl)pyrazol-4-ol

C11H12N2OS — CID 116799458

IUPAC1-(2-phenylsulfanylethyl)pyrazol-4-ol
SMILESOc1cnn(CCSc2ccccc2)c1
InChIInChI=1S/C11H12N2OS/c14-10-8-12-13(9-10)6-7-15-11-4-2-1-3-5-11/h1-5,8-9,14H,6-7H2
InChIKeyJYXZBXOKZNBRTP-UHFFFAOYSA-N
MW220.30 g/mol
LogP2.38
Rot. Bonds4

About 1-(2-phenylsulfanylethyl)pyrazol-4-ol

1-(2-phenylsulfanylethyl)pyrazol-4-ol (PubChem CID 116799458) has the molecular formula C11H12N2OS and a molecular weight of 220.30 g/mol. Its IUPAC name is 1-(2-phenylsulfanylethyl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(2-phenylsulfanylethyl)pyrazol-4-ol
PubChem CID116799458
Molecular FormulaC11H12N2OS
Molecular Weight220.30 g/mol
Exact Mass220.07
IUPAC Name1-(2-phenylsulfanylethyl)pyrazol-4-ol
SMILESOc1cnn(CCSc2ccccc2)c1
InChIInChI=1S/C11H12N2OS/c14-10-8-12-13(9-10)6-7-15-11-4-2-1-3-5-11/h1-5,8-9,14H,6-7H2
InChIKeyJYXZBXOKZNBRTP-UHFFFAOYSA-N
XLogP2.38
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.30
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylethyl)pyrazol-4-ol?
The IUPAC name of 1-(2-phenylsulfanylethyl)pyrazol-4-ol (CID 116799458) is 1-(2-phenylsulfanylethyl)pyrazol-4-ol.
What is the SMILES notation for 1-(2-phenylsulfanylethyl)pyrazol-4-ol?
The canonical SMILES for 1-(2-phenylsulfanylethyl)pyrazol-4-ol is Oc1cnn(CCSc2ccccc2)c1.
What is the InChIKey of 1-(2-phenylsulfanylethyl)pyrazol-4-ol?
The InChIKey is JYXZBXOKZNBRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2OS/c14-10-8-12-13(9-10)6-7-15-11-4-2-1-3-5-11/h1-5,8-9,14H,6-7H2.
What are the key properties of 1-(2-phenylsulfanylethyl)pyrazol-4-ol?
1-(2-phenylsulfanylethyl)pyrazol-4-ol has a molecular weight of 220.30 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylethyl)pyrazol-4-ol is sourced from PubChem (CID 116799458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).