[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

C14H15F3N2O — CID 66437452

IUPAC[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-9(2)13-10(8-20)7-18-19(13)12-5-3-4-11(6-12)14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeyLVWOABSYPWCJDW-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.51
Rot. Bonds3

About [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol

[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 66437452) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID66437452
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H15F3N2O/c1-9(2)13-10(8-20)7-18-19(13)12-5-3-4-11(6-12)14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeyLVWOABSYPWCJDW-UHFFFAOYSA-N
XLogP3.51
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 66437235
[1-(3-chlorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66437016
[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
CID 79200265
[5-(difluoromethyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 66436584
4-(aminomethyl)-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 115069398
4-(bromomethyl)-1-(3-bromophenyl)-5-propan-2-ylpyrazole
CID 66437281
5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]triazole
CID 134105821
4-chloro-5-(1-hydroxypropan-2-ylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
CID 71862867
[1-(2,4-difluorophenyl)-5-propan-2-ylpyrazol-4-yl]methanol
CID 66436355
[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
CID 39369333
(2R)-2-[[5-methyl-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 119244624
3-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 43381303

Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 66437452) is [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is CC(C)c1c(CO)cnn1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is LVWOABSYPWCJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(2)13-10(8-20)7-18-19(13)12-5-3-4-11(6-12)14(15,16)17/h3-7,9,20H,8H2,1-2H3.
What are the key properties of [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol has a molecular weight of 284.28 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 66437452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).