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

C12H11F3N2O — CID 66437235

IUPAC[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCc1c(CO)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-8-9(7-18)6-16-17(8)11-4-2-3-10(5-11)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyMRKSJWMCCCCALZ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.69
Rot. Bonds2

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

[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 66437235) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID66437235
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCc1c(CO)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C12H11F3N2O/c1-8-9(7-18)6-16-17(8)11-4-2-3-10(5-11)12(13,14)15/h2-6,18H,7H2,1H3
InChIKeyMRKSJWMCCCCALZ-UHFFFAOYSA-N
XLogP2.69
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437452
[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 39369333
ethyl 5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxylate
CID 54513433
N-ethyl-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 51335286
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
N-(2,6-diethylphenyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 46514572
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 119384459
N-(2-hydroxyethyl)-N-(3-hydroxypropyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 71908614
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624
N-(2-aminoethyl)-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide;hydrochloride
CID 119384458
azocan-1-yl-[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanone
CID 30766832
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 36746441

Frequently Asked Questions

What is the IUPAC name of [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 66437235) is [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is Cc1c(CO)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is MRKSJWMCCCCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-8-9(7-18)6-16-17(8)11-4-2-3-10(5-11)12(13,14)15/h2-6,18H,7H2,1H3.
What are the key properties of [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 256.23 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66437235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).