2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol

C19H20N2OS — CID 175892795

IUPAC2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol
SMILESCc1cc(CSc2ccc(CCO)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N2OS/c1-15-13-18(21(20-15)17-5-3-2-4-6-17)14-23-19-9-7-16(8-10-19)11-12-22/h2-10,13,22H,11-12,14H2,1H3
InChIKeyCIZFXTPDDXRQKR-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.01
Rot. Bonds6

About 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol

2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol (PubChem CID 175892795) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol
PubChem CID175892795
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol
SMILESCc1cc(CSc2ccc(CCO)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C19H20N2OS/c1-15-13-18(21(20-15)17-5-3-2-4-6-17)14-23-19-9-7-16(8-10-19)11-12-22/h2-10,13,22H,11-12,14H2,1H3
InChIKeyCIZFXTPDDXRQKR-UHFFFAOYSA-N
XLogP4.01
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol?
The IUPAC name of 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol (CID 175892795) is 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol?
The canonical SMILES for 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol is Cc1cc(CSc2ccc(CCO)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol?
The InChIKey is CIZFXTPDDXRQKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15-13-18(21(20-15)17-5-3-2-4-6-17)14-23-19-9-7-16(8-10-19)11-12-22/h2-10,13,22H,11-12,14H2,1H3.
What are the key properties of 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol?
2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol has a molecular weight of 324.45 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-2-phenylpyrazol-3-yl)methylsulfanyl]phenyl]ethanol is sourced from PubChem (CID 175892795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).