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

C7H9F3N2O — CID 63901657

IUPAC1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c1-5-2-11-12(3-5)4-6(13)7(8,9)10/h2-3,6,13H,4H2,1H3
InChIKeyKBKDUGVKVWHAFS-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.11
Rot. Bonds2

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

1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol (PubChem CID 63901657) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
PubChem CID63901657
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol
SMILESCc1cnn(CC(O)C(F)(F)F)c1
InChIInChI=1S/C7H9F3N2O/c1-5-2-11-12(3-5)4-6(13)7(8,9)10/h2-3,6,13H,4H2,1H3
InChIKeyKBKDUGVKVWHAFS-UHFFFAOYSA-N
XLogP1.11
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.16
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol (CID 63901657) is 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol is Cc1cnn(CC(O)C(F)(F)F)c1.
What is the InChIKey of 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
The InChIKey is KBKDUGVKVWHAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-5-2-11-12(3-5)4-6(13)7(8,9)10/h2-3,6,13H,4H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol?
1,1,1-trifluoro-3-(4-methylpyrazol-1-yl)propan-2-ol has a molecular weight of 194.16 g/mol, XLogP of 1.11, 2 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-methylpyrazol-1-yl)propan-2-ol is sourced from PubChem (CID 63901657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).