(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

C13H13F3N2O2S — CID 114635097

IUPAC(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCOc1cnn(C)c1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2S/c1-18-11(10(20-2)7-17-18)12(19)8-3-5-9(6-4-8)21-13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyPHEAKWFWRHRHHK-UHFFFAOYSA-N
MW318.32 g/mol
LogP3.12
Rot. Bonds4

About (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol

(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 114635097) has the molecular formula C13H13F3N2O2S and a molecular weight of 318.32 g/mol. Its IUPAC name is (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID114635097
Molecular FormulaC13H13F3N2O2S
Molecular Weight318.32 g/mol
Exact Mass318.06
IUPAC Name(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCOc1cnn(C)c1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C13H13F3N2O2S/c1-18-11(10(20-2)7-17-18)12(19)8-3-5-9(6-4-8)21-13(14,15)16/h3-7,12,19H,1-2H3
InChIKeyPHEAKWFWRHRHHK-UHFFFAOYSA-N
XLogP3.12
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methoxy-1-methylpyrazol-5-yl)-(4-methylsulfanylphenyl)methanol
CID 115836806
[4-(difluoromethoxy)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634220
(2,3-dimethoxyphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114634621
[5-fluoro-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114645117
[2-fluoro-3-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114644854
2,2-difluoro-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114645393
[4-bromo-2-(trifluoromethyl)phenyl]-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 114643398
(4-methoxy-1-methylpyrazol-5-yl)-thiophen-2-ylmethanol
CID 114634516
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-1-(4-methylsulfanylphenyl)methanamine
CID 105047260
3-[hydroxy-(4-methoxy-1-methylpyrazol-5-yl)methyl]benzonitrile
CID 114637573
(6-methyl-3-pyridinyl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63895500
(2-methoxy-5-methylphenyl)-(4-methoxy-1-methylpyrazol-5-yl)methanol
CID 115836879

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 114635097) is (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is COc1cnn(C)c1C(O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is PHEAKWFWRHRHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O2S/c1-18-11(10(20-2)7-17-18)12(19)8-3-5-9(6-4-8)21-13(14,15)16/h3-7,12,19H,1-2H3.
What are the key properties of (4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(4-methoxy-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 318.32 g/mol, XLogP of 3.12, 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-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 114635097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).