3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol

C12H11F3N2O — CID 107330304

IUPAC3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
SMILESOC(CC(F)(F)F)c1ccnn1-c1ccccc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)8-11(18)10-6-7-16-17(10)9-4-2-1-3-5-9/h1-7,11,18H,8H2
InChIKeySIXBQVDKRMOVDN-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.86
Rot. Bonds3

About 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol

3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol (PubChem CID 107330304) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
PubChem CID107330304
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol
SMILESOC(CC(F)(F)F)c1ccnn1-c1ccccc1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)8-11(18)10-6-7-16-17(10)9-4-2-1-3-5-9/h1-7,11,18H,8H2
InChIKeySIXBQVDKRMOVDN-UHFFFAOYSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330397
3,3,3-trifluoro-1-(2-methylpyrazol-3-yl)propan-1-ol
CID 63961178
2,2-difluoro-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330398
2-(ethylamino)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107331439
2-methylsulfonyl-1-(2-phenylpyrazol-3-yl)ethanol
CID 107332340
2-(2-bromophenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330322
1-(2-phenylpyrazol-3-yl)-3-pyridin-2-ylpropan-1-ol
CID 107332285
2-(3-methylphenyl)-1-(2-phenylpyrazol-3-yl)ethanol
CID 107330309
(1S)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 54591246
(1R)-3,3,3-trifluoro-1-phenylpropan-1-ol
CID 92981235
2,3-dimethyl-1-(2-phenylpyrazol-3-yl)butan-1-ol
CID 107332293
2-(dimethylamino)-2-methyl-1-(2-phenylpyrazol-3-yl)propan-1-ol
CID 107330353

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol (CID 107330304) is 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol is OC(CC(F)(F)F)c1ccnn1-c1ccccc1.
What is the InChIKey of 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol?
The InChIKey is SIXBQVDKRMOVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)8-11(18)10-6-7-16-17(10)9-4-2-1-3-5-9/h1-7,11,18H,8H2.
What are the key properties of 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol?
3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol has a molecular weight of 256.23 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(2-phenylpyrazol-3-yl)propan-1-ol is sourced from PubChem (CID 107330304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).