[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

C12H10BrF3N2O — CID 104509084

IUPAC[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1cc(Br)ccc1-n1ncc(CO)c1C(F)(F)F
InChIInChI=1S/C12H10BrF3N2O/c1-7-4-9(13)2-3-10(7)18-11(12(14,15)16)8(6-19)5-17-18/h2-5,19H,6H2,1H3
InChIKeyVHSOLAJLBTXBSE-UHFFFAOYSA-N
MW335.12 g/mol
LogP3.45
Rot. Bonds2

About [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 104509084) has the molecular formula C12H10BrF3N2O and a molecular weight of 335.12 g/mol. Its IUPAC name is [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID104509084
Molecular FormulaC12H10BrF3N2O
Molecular Weight335.12 g/mol
Exact Mass333.99
IUPAC Name[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1cc(Br)ccc1-n1ncc(CO)c1C(F)(F)F
InChIInChI=1S/C12H10BrF3N2O/c1-7-4-9(13)2-3-10(7)18-11(12(14,15)16)8(6-19)5-17-18/h2-5,19H,6H2,1H3
InChIKeyVHSOLAJLBTXBSE-UHFFFAOYSA-N
XLogP3.45
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.12
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(bromomethyl)-1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 113420796
[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66438123
[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 82527684
4-(bromomethyl)-1-(4-fluoro-2-methylphenyl)-5-(trifluoromethyl)pyrazole
CID 66439477
4-(chloromethyl)-1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole
CID 66437277
[1-(4-bromo-2-methylphenyl)-5-methylpyrazol-4-yl]methanamine
CID 82307236
[1-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66437687
1-(4-bromo-2-methylphenyl)-5-chloro-4-methyl-3-(trifluoromethyl)pyrazole
CID 104509024
N-[[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66442319
[1-(3-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440508
[1-(2,4-dimethylphenyl)-5-propylpyrazol-4-yl]methanol
CID 66436809
N-[[1-(2,4-difluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 66441867

Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 104509084) is [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is Cc1cc(Br)ccc1-n1ncc(CO)c1C(F)(F)F.
What is the InChIKey of [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is VHSOLAJLBTXBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrF3N2O/c1-7-4-9(13)2-3-10(7)18-11(12(14,15)16)8(6-19)5-17-18/h2-5,19H,6H2,1H3.
What are the key properties of [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 335.12 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 104509084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).