1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol

C9H13F3N2O — CID 118259034

IUPAC1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESCC(C)c1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C9H13F3N2O/c1-6(2)7-3-13-14(4-7)5-8(15)9(10,11)12/h3-4,6,8,15H,5H2,1-2H3
InChIKeyHJHNIUUPFPFMPP-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.93
Rot. Bonds3

About 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol

1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol (PubChem CID 118259034) has the molecular formula C9H13F3N2O and a molecular weight of 222.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
PubChem CID118259034
Molecular FormulaC9H13F3N2O
Molecular Weight222.21 g/mol
Exact Mass222.10
IUPAC Name1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol
SMILESCC(C)c1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C9H13F3N2O/c1-6(2)7-3-13-14(4-7)5-8(15)9(10,11)12/h3-4,6,8,15H,5H2,1-2H3
InChIKeyHJHNIUUPFPFMPP-UHFFFAOYSA-N
XLogP1.93
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 21825961
(1S)-2,2-difluoro-1-(1-pentan-3-ylpyrazol-4-yl)ethanol
CID 137349022
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54593112
(1R)-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-ol
CID 33821152
2-[4-Methyl-5-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514586
2-[4-Methyl-3-(trifluoromethyl)pyrazol-1-yl]ethanol
CID 58514749
1-[(2,2-Difluorocyclopropyl)methyl]-4-propan-2-ylpyrazole
CID 59186486
1-(2,2-Difluoroethyl)-4-propan-2-ylpyrazole
CID 59333381
1-[1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]ethan-1-ol
CID 62731639
1,1,1-trifluoro-3-(4-methyl-1H-pyrazol-1-yl)propan-2-ol
CID 63901657
2-[4-(Trifluoromethyl)pyrazol-1-yl]ethanol
CID 64177776
1-(2-Fluoropropyl)-4-propan-2-ylpyrazole
CID 68044694

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol (CID 118259034) is 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol is CC(C)c1cnn(CC(O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
The InChIKey is HJHNIUUPFPFMPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O/c1-6(2)7-3-13-14(4-7)5-8(15)9(10,11)12/h3-4,6,8,15H,5H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol has a molecular weight of 222.21 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-(4-propan-2-ylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 118259034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).