[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

C13H13F3N2O — CID 39369333

IUPAC[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CO
InChIInChI=1S/C13H13F3N2O/c1-8-12(7-19)9(2)18(17-8)11-5-3-4-10(6-11)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyKKPSYBPEDBUXSZ-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.00
Rot. Bonds2

About [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 39369333) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID39369333
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CO
InChIInChI=1S/C13H13F3N2O/c1-8-12(7-19)9(2)18(17-8)11-5-3-4-10(6-11)13(14,15)16/h3-6,19H,7H2,1-2H3
InChIKeyKKPSYBPEDBUXSZ-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-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxypropyl)acetamide
CID 78884584
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 78883964
(3,5-dimethyl-1-phenylpyrazol-4-yl)methanol
CID 2526674
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate
CID 7131608
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-methyl-N-[2-(methylamino)ethyl]acetamide
CID 167844133
2-(4-chlorophenyl)-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]acetohydrazide
CID 55702683
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-N-(3-hydroxy-2-pyridinyl)acetamide
CID 47047946
N-(3-anilinopropyl)-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetamide
CID 56586408
4-chloro-N'-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]benzohydrazide
CID 55702587
[1-(4-tert-butylphenyl)-3,5-dimethylpyrazol-4-yl]methanol
CID 39359841
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100659071

Frequently Asked Questions

What is the IUPAC name of [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 39369333) is [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1CO.
What is the InChIKey of [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is KKPSYBPEDBUXSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-8-12(7-19)9(2)18(17-8)11-5-3-4-10(6-11)13(14,15)16/h3-6,19H,7H2,1-2H3.
What are the key properties of [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]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 [3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 39369333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).