(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol

C13H16N2O2S — CID 115836806

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
SMILESCOc1cnn(C)c1C(O)c1ccc(SC)cc1
InChIInChI=1S/C13H16N2O2S/c1-15-12(11(17-2)8-14-15)13(16)9-4-6-10(18-3)7-5-9/h4-8,13,16H,1-3H3
InChIKeyAEUQCGUSZYRASZ-UHFFFAOYSA-N
MW264.35 g/mol
LogP2.23
Rot. Bonds4

About (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol

(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol (PubChem CID 115836806) has the molecular formula C13H16N2O2S and a molecular weight of 264.35 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
PubChem CID115836806
Molecular FormulaC13H16N2O2S
Molecular Weight264.35 g/mol
Exact Mass264.09
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
SMILESCOc1cnn(C)c1C(O)c1ccc(SC)cc1
InChIInChI=1S/C13H16N2O2S/c1-15-12(11(17-2)8-14-15)13(16)9-4-6-10(18-3)7-5-9/h4-8,13,16H,1-3H3
InChIKeyAEUQCGUSZYRASZ-UHFFFAOYSA-N
XLogP2.23
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 114635097
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634220
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516
3-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]benzonitrile
CID 114637573
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879
(2-chlorophenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634561
(4-methoxy-1-methylpyrazol-5-yl)-(1-methylimidazol-4-yl)methanol
CID 107978707
(4-methoxyphenyl)-(4-methoxy-1-propan-2-ylpyrazol-5-yl)methanol
CID 114634045
1-(4-ethylsulfanylphenyl)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylmethanamine
CID 106848978
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol (CID 115836806) is (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol is COc1cnn(C)c1C(O)c1ccc(SC)cc1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol?
The InChIKey is AEUQCGUSZYRASZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S/c1-15-12(11(17-2)8-14-15)13(16)9-4-6-10(18-3)7-5-9/h4-8,13,16H,1-3H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol?
(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol has a molecular weight of 264.35 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol is sourced from PubChem (CID 115836806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).