[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

C13H13F3N2O — CID 82527684

IUPAC[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2ncc(CO)c2C(F)(F)F)c1C
InChIInChI=1S/C13H13F3N2O/c1-8-4-3-5-11(9(8)2)18-12(13(14,15)16)10(7-19)6-17-18/h3-6,19H,7H2,1-2H3
InChIKeyGDJMWUDGSKJEJP-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.00
Rot. Bonds2

About [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol

[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (PubChem CID 82527684) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
PubChem CID82527684
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
SMILESCc1cccc(-n2ncc(CO)c2C(F)(F)F)c1C
InChIInChI=1S/C13H13F3N2O/c1-8-4-3-5-11(9(8)2)18-12(13(14,15)16)10(7-19)6-17-18/h3-6,19H,7H2,1-2H3
InChIKeyGDJMWUDGSKJEJP-UHFFFAOYSA-N
XLogP3.00
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]acetonitrile
CID 82527675
[1-(4-bromo-2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 104509084
(E)-3-[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]prop-2-enoic acid
CID 82527668
[1-(4-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66437687
[1-(4-bromophenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol
CID 66438123
[1-(3-chloro-2-methylphenyl)-5-methylpyrazol-4-yl]methanol
CID 82528154
1-[1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazol-4-yl]-N-methylmethanamine
CID 66441478
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
4-(chloromethyl)-1-(2,4-dimethylphenyl)-5-(trifluoromethyl)pyrazole
CID 66437277
[1-(2-methylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]carbamic acid
CID 170168452
[5-methoxy-1-(2-methylphenyl)pyrazol-4-yl]methanol
CID 115069055
[1-(2-methoxyphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanamine
CID 66440778

Frequently Asked Questions

What is the IUPAC name of [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The IUPAC name of [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol (CID 82527684) is [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The canonical SMILES for [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is Cc1cccc(-n2ncc(CO)c2C(F)(F)F)c1C.
What is the InChIKey of [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
The InChIKey is GDJMWUDGSKJEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-4-3-5-11(9(8)2)18-12(13(14,15)16)10(7-19)6-17-18/h3-6,19H,7H2,1-2H3.
What are the key properties of [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol?
[1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol has a molecular weight of 270.25 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,3-dimethylphenyl)-5-(trifluoromethyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 82527684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).