2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol

C12H14N2OS — CID 103721509

IUPAC2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol
SMILESCn1cc(CCSc2ccccc2O)cn1
InChIInChI=1S/C12H14N2OS/c1-14-9-10(8-13-14)6-7-16-12-5-3-2-4-11(12)15/h2-5,8-9,15H,6-7H2,1H3
InChIKeyQJDXLRJYFNQRKM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.46
Rot. Bonds4

About 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol

2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol (PubChem CID 103721509) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol.

Molecular Properties

Compound Name2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol
PubChem CID103721509
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol
SMILESCn1cc(CCSc2ccccc2O)cn1
InChIInChI=1S/C12H14N2OS/c1-14-9-10(8-13-14)6-7-16-12-5-3-2-4-11(12)15/h2-5,8-9,15H,6-7H2,1H3
InChIKeyQJDXLRJYFNQRKM-UHFFFAOYSA-N
XLogP2.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-phenylethylsulfanyl)phenol
CID 10823369
4-bromo-2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]aniline
CID 103003195
1-[3-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenyl]ethanamine
CID 103015634
3-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]propane-1,2-diol
CID 103729979
2-(2-hydroxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 78990918
2-(1-methylpyrazol-4-yl)ethanol
CID 17028076
1-ethyl-2-[2-(1-methylpyrazol-4-yl)ethyl]-3-(2-phenylsulfanylethyl)guanidine
CID 111372509
2-methyl-1-[2-(1-methylpyrazol-4-yl)ethyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135104
2-[(1-methylpyrazol-4-yl)methylamino]phenol
CID 19614710
3-(1-methylpyrazol-4-yl)-2-phenylpropan-1-ol
CID 66057746
2-fluoro-5-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]benzoic acid
CID 102999513
N-[(1-methylpyrazol-4-yl)methyl]-2-methylsulfanylbenzamide
CID 110483761

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol?
The IUPAC name of 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol (CID 103721509) is 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol.
What is the SMILES notation for 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol?
The canonical SMILES for 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol is Cn1cc(CCSc2ccccc2O)cn1.
What is the InChIKey of 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol?
The InChIKey is QJDXLRJYFNQRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-14-9-10(8-13-14)6-7-16-12-5-3-2-4-11(12)15/h2-5,8-9,15H,6-7H2,1H3.
What are the key properties of 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol?
2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol has a molecular weight of 234.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methylpyrazol-4-yl)ethylsulfanyl]phenol is sourced from PubChem (CID 103721509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).