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

C14H15F3N2O — CID 58733868

IUPAC[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C14H15F3N2O/c1-9(2)13-10(8-20)7-19(18-13)12-5-3-11(4-6-12)14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeyPLMPESHINKCWJW-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.51
Rot. Bonds3

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

[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (PubChem CID 58733868) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
PubChem CID58733868
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name[3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol
SMILESCC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1CO
InChIInChI=1S/C14H15F3N2O/c1-9(2)13-10(8-20)7-19(18-13)12-5-3-11(4-6-12)14(15,16)17/h3-7,9,20H,8H2,1-2H3
InChIKeyPLMPESHINKCWJW-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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Frequently Asked Questions

What is the IUPAC name of [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The IUPAC name of [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol (CID 58733868) is [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol.
What is the SMILES notation for [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The canonical SMILES for [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is CC(C)c1nn(-c2ccc(C(F)(F)F)cc2)cc1CO.
What is the InChIKey of [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
The InChIKey is PLMPESHINKCWJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-9(2)13-10(8-20)7-19(18-13)12-5-3-11(4-6-12)14(15,16)17/h3-7,9,20H,8H2,1-2H3.
What are the key properties of [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol?
[3-propan-2-yl-1-[4-(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 [3-propan-2-yl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]methanol is sourced from PubChem (CID 58733868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).