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

C12H10BrF3N2OS — CID 114635099

IUPAC(4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCn1ncc(Br)c1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H10BrF3N2OS/c1-18-10(9(13)6-17-18)11(19)7-2-4-8(5-3-7)20-12(14,15)16/h2-6,11,19H,1H3
InChIKeyMUGGHHPTOMYALN-UHFFFAOYSA-N
MW367.19 g/mol
LogP3.88
Rot. Bonds3

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

(4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (PubChem CID 114635099) has the molecular formula C12H10BrF3N2OS and a molecular weight of 367.19 g/mol. Its IUPAC name is (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.

Molecular Properties

Compound Name(4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
PubChem CID114635099
Molecular FormulaC12H10BrF3N2OS
Molecular Weight367.19 g/mol
Exact Mass365.96
IUPAC Name(4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
SMILESCn1ncc(Br)c1C(O)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H10BrF3N2OS/c1-18-10(9(13)6-17-18)11(19)7-2-4-8(5-3-7)20-12(14,15)16/h2-6,11,19H,1H3
InChIKeyMUGGHHPTOMYALN-UHFFFAOYSA-N
XLogP3.88
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.19
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1-Methyl-1H-pyrazol-5-yl)(phenyl)methanol
CID 10943232
[1-Methyl-4-(trifluoromethyl)pyrazol-5-yl]-phenylmethanol
CID 102385474
(2-Fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 63961772
[4-bromo-2-methyl-5-(4-trifluoromethyl-phenyl)-2H-pyrazol-3-yl]-methanol
CID 69284507
(2-Bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol
CID 71226070
[2-Bromo-5-(trifluoromethyl)phenyl]-(2,4-dimethylpyrazol-3-yl)methanol
CID 71226470
(4-Bromo-1-methylpyrazol-5-yl)-(2-chloro-4-fluorophenyl)methanol
CID 89768982
[4-(Aminomethyl)-1-(methoxymethyl)pyrazol-3-yl]-(4-fluorophenyl)methanol;4-(trifluoromethyl)benzenethiol
CID 145523829
(E)-1-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]-3-phenylprop-2-en-1-ol
CID 11608884
(4-fluorophenyl)(1-methyl-1H-pyrazol-5-yl)methanol
CID 49963881
(2-Ethylpyrazol-3-yl)-(4-fluorophenyl)methanol
CID 49963882
(1-Propylpyrazol-4-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol
CID 63893578

Frequently Asked Questions

What is the IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The IUPAC name of (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol (CID 114635099) is (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol.
What is the SMILES notation for (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The canonical SMILES for (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is Cn1ncc(Br)c1C(O)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
The InChIKey is MUGGHHPTOMYALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2OS/c1-18-10(9(13)6-17-18)11(19)7-2-4-8(5-3-7)20-12(14,15)16/h2-6,11,19H,1H3.
What are the key properties of (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol?
(4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol has a molecular weight of 367.19 g/mol, XLogP of 3.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-1-methylpyrazol-5-yl)-[4-(trifluoromethylsulfanyl)phenyl]methanol is sourced from PubChem (CID 114635099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).