4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol

C12H14N2OS — CID 103013437

IUPAC4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol
SMILESCn1nccc1CCSc1ccc(O)cc1
InChIInChI=1S/C12H14N2OS/c1-14-10(6-8-13-14)7-9-16-12-4-2-11(15)3-5-12/h2-6,8,15H,7,9H2,1H3
InChIKeyAHISLUGAFMFCOM-UHFFFAOYSA-N
MW234.32 g/mol
LogP2.46
Rot. Bonds4

About 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol

4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol (PubChem CID 103013437) has the molecular formula C12H14N2OS and a molecular weight of 234.32 g/mol. Its IUPAC name is 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol.

Molecular Properties

Compound Name4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol
PubChem CID103013437
Molecular FormulaC12H14N2OS
Molecular Weight234.32 g/mol
Exact Mass234.08
IUPAC Name4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol
SMILESCn1nccc1CCSc1ccc(O)cc1
InChIInChI=1S/C12H14N2OS/c1-14-10(6-8-13-14)7-9-16-12-4-2-11(15)3-5-12/h2-6,8,15H,7,9H2,1H3
InChIKeyAHISLUGAFMFCOM-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

5-[2-[4-(dimethoxymethyl)phenyl]sulfanylethyl]-1-methylpyrazole
CID 103015623
N-methyl-1-[3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenyl]methanamine
CID 103015658
4-methyl-3-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]aniline
CID 103003186
5-chloro-2-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]aniline
CID 103003123
5-fluoro-2-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]aniline
CID 103003142
3-(2-methylpyrazol-3-yl)-1-(4-methylsulfanylphenyl)propan-1-amine
CID 103030963
2-methyl-6-(2-methylpyrazol-3-yl)hexan-3-ol
CID 103013814
N-[2-(2-methylpyrazol-3-yl)ethyl]pyrrol-1-amine
CID 103001636
2,5-dihydroxy-N-[2-(2-methylpyrazol-3-yl)ethyl]benzamide
CID 107723981
ethane;(2-methylpyrazol-3-yl)methanol
CID 144625468
3-methyl-5-[2-(2-methylpyrazol-3-yl)ethoxy]phenol
CID 107680067
2,2-dimethyl-3-[2-(2-methylpyrazol-3-yl)ethoxy]propan-1-ol
CID 103006541

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol?
The IUPAC name of 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol (CID 103013437) is 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol.
What is the SMILES notation for 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol?
The canonical SMILES for 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol is Cn1nccc1CCSc1ccc(O)cc1.
What is the InChIKey of 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol?
The InChIKey is AHISLUGAFMFCOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2OS/c1-14-10(6-8-13-14)7-9-16-12-4-2-11(15)3-5-12/h2-6,8,15H,7,9H2,1H3.
What are the key properties of 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol?
4-[2-(2-methylpyrazol-3-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 4-[2-(2-methylpyrazol-3-yl)ethylsulfanyl]phenol is sourced from PubChem (CID 103013437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).