[1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol

C14H13F5N2O — CID 67528798

IUPAC[1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2cc(F)cc(F)c2C(F)(F)F)c1CO
InChIInChI=1S/C14H13F5N2O/c1-7(2)9-5-20-21(12(9)6-22)11-4-8(15)3-10(16)13(11)14(17,18)19/h3-5,7,22H,6H2,1-2H3
InChIKeyQMDCCDFUWHNAIK-UHFFFAOYSA-N
MW320.26 g/mol
LogP3.79
Rot. Bonds3

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

[1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol (PubChem CID 67528798) has the molecular formula C14H13F5N2O and a molecular weight of 320.26 g/mol. Its IUPAC name is [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol.

Molecular Properties

Compound Name[1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol
PubChem CID67528798
Molecular FormulaC14H13F5N2O
Molecular Weight320.26 g/mol
Exact Mass320.09
IUPAC Name[1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol
SMILESCC(C)c1cnn(-c2cc(F)cc(F)c2C(F)(F)F)c1CO
InChIInChI=1S/C14H13F5N2O/c1-7(2)9-5-20-21(12(9)6-22)11-4-8(15)3-10(16)13(11)14(17,18)19/h3-5,7,22H,6H2,1-2H3
InChIKeyQMDCCDFUWHNAIK-UHFFFAOYSA-N
XLogP3.79
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.26
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
The IUPAC name of [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol (CID 67528798) is [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol.
What is the SMILES notation for [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
The canonical SMILES for [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol is CC(C)c1cnn(-c2cc(F)cc(F)c2C(F)(F)F)c1CO.
What is the InChIKey of [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
The InChIKey is QMDCCDFUWHNAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F5N2O/c1-7(2)9-5-20-21(12(9)6-22)11-4-8(15)3-10(16)13(11)14(17,18)19/h3-5,7,22H,6H2,1-2H3.
What are the key properties of [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol?
[1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol has a molecular weight of 320.26 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3,5-difluoro-2-(trifluoromethyl)phenyl]-4-propan-2-ylpyrazol-5-yl]methanol is sourced from PubChem (CID 67528798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).