1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol

C10H12F6N2O — CID 103312547

IUPAC1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESCc1cc(CC(O)C(C(F)(F)F)C(F)(F)F)n(C)n1
InChIInChI=1S/C10H12F6N2O/c1-5-3-6(18(2)17-5)4-7(19)8(9(11,12)13)10(14,15)16/h3,7-8,19H,4H2,1-2H3
InChIKeyPUPKORDCYRCVFT-UHFFFAOYSA-N
MW290.21 g/mol
LogP2.37
Rot. Bonds3

About 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol

1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (PubChem CID 103312547) has the molecular formula C10H12F6N2O and a molecular weight of 290.21 g/mol. Its IUPAC name is 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
PubChem CID103312547
Molecular FormulaC10H12F6N2O
Molecular Weight290.21 g/mol
Exact Mass290.09
IUPAC Name1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
SMILESCc1cc(CC(O)C(C(F)(F)F)C(F)(F)F)n(C)n1
InChIInChI=1S/C10H12F6N2O/c1-5-3-6(18(2)17-5)4-7(19)8(9(11,12)13)10(14,15)16/h3,7-8,19H,4H2,1-2H3
InChIKeyPUPKORDCYRCVFT-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-dimethylpyrazol-3-yl)-3,4-dimethylpentan-2-ol
CID 115811450
3-cyclopropyl-1-(2,5-dimethylpyrazol-3-yl)butan-2-ol
CID 115811630
1-(2,5-dimethylpyrazol-3-yl)-3-[4-(trifluoromethyl)phenyl]propan-2-ol
CID 115811618
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-(4-bromo-2,6-difluorophenyl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 115811446
1-(4-chloro-1,3-dimethylpyrazol-5-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312548
1-(1,5-dimethylpyrazol-4-yl)-2-(2,5-dimethylpyrazol-3-yl)ethanol
CID 79584013
(2S)-2-amino-3-(2,5-dimethylpyrazol-3-yl)propanamide
CID 141403090
5-[2,2-bis(chloromethyl)-3-methylbutyl]-1,3-dimethylpyrazole
CID 79448244
2-(2,5-dimethylpyrazol-3-yl)-1-(2-methyl-4-pyridinyl)ethanol
CID 106756242
1-(2,5-dimethylpyrazol-3-yl)-5,5,5-trifluoro-N-propylpentan-2-amine
CID 79964323

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The IUPAC name of 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol (CID 103312547) is 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The canonical SMILES for 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is Cc1cc(CC(O)C(C(F)(F)F)C(F)(F)F)n(C)n1.
What is the InChIKey of 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
The InChIKey is PUPKORDCYRCVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F6N2O/c1-5-3-6(18(2)17-5)4-7(19)8(9(11,12)13)10(14,15)16/h3,7-8,19H,4H2,1-2H3.
What are the key properties of 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol?
1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol has a molecular weight of 290.21 g/mol, XLogP of 2.37, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol is sourced from PubChem (CID 103312547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).