5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol

C14H15F3N2O — CID 105120552

IUPAC5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-4-7-13(20)12-8-10-19(18-12)11-5-2-1-3-6-11/h1-3,5-6,8,10,13,20H,4,7,9H2
InChIKeyLWNCDRWJANMLLM-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.64
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol

5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol (PubChem CID 105120552) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
PubChem CID105120552
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol
SMILESOC(CCCC(F)(F)F)c1ccn(-c2ccccc2)n1
InChIInChI=1S/C14H15F3N2O/c15-14(16,17)9-4-7-13(20)12-8-10-19(18-12)11-5-2-1-3-6-11/h1-3,5-6,8,10,13,20H,4,7,9H2
InChIKeyLWNCDRWJANMLLM-UHFFFAOYSA-N
XLogP3.64
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4-dimethyl-1-(1-phenylpyrazol-3-yl)pentan-1-ol
CID 105091442
[4,4,4-trifluoro-1-(1-phenylpyrazol-3-yl)butyl]hydrazine
CID 105313886
1-(1-phenylpyrazol-3-yl)-2-thiophen-3-ylethanol
CID 105089447
2-(3-methylphenyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105077898
1-(1-phenylpyrazol-3-yl)-2-(1,3-thiazol-2-yl)ethanol
CID 105115204
2-(5-bromo-3-pyridinyl)-1-(1-phenylpyrazol-3-yl)ethanol
CID 105126317
N,2,2-trimethyl-1-(1-phenylpyrazol-3-yl)propan-1-amine
CID 105145918
3-hexan-3-yl-1-phenylpyrazole
CID 154966414
1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124905
furan-2-yl-(1-phenylpyrazol-3-yl)methanol
CID 105097286
N-methyl-1-(1-phenylpyrazol-3-yl)octan-1-amine
CID 105124562
(3-bromo-2-fluorophenyl)-(1-phenylpyrazol-3-yl)methanol
CID 106648410

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
The IUPAC name of 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol (CID 105120552) is 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
The canonical SMILES for 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol is OC(CCCC(F)(F)F)c1ccn(-c2ccccc2)n1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
The InChIKey is LWNCDRWJANMLLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c15-14(16,17)9-4-7-13(20)12-8-10-19(18-12)11-5-2-1-3-6-11/h1-3,5-6,8,10,13,20H,4,7,9H2.
What are the key properties of 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol?
5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol has a molecular weight of 284.28 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-1-(1-phenylpyrazol-3-yl)pentan-1-ol is sourced from PubChem (CID 105120552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).