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

C7H9F3N2O — CID 61088403

IUPAC3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(C(O)CC(F)(F)F)cn1
InChIInChI=1S/C7H9F3N2O/c1-12-4-5(3-11-12)6(13)2-7(8,9)10/h3-4,6,13H,2H2,1H3
InChIKeyAQGFMFOWHAPHLG-UHFFFAOYSA-N
MW194.16 g/mol
LogP1.41
Rot. Bonds2

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

3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol (PubChem CID 61088403) has the molecular formula C7H9F3N2O and a molecular weight of 194.16 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol
PubChem CID61088403
Molecular FormulaC7H9F3N2O
Molecular Weight194.16 g/mol
Exact Mass194.07
IUPAC Name3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol
SMILESCn1cc(C(O)CC(F)(F)F)cn1
InChIInChI=1S/C7H9F3N2O/c1-12-4-5(3-11-12)6(13)2-7(8,9)10/h3-4,6,13H,2H2,1H3
InChIKeyAQGFMFOWHAPHLG-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol (CID 61088403) is 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol is Cn1cc(C(O)CC(F)(F)F)cn1.
What is the InChIKey of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol?
The InChIKey is AQGFMFOWHAPHLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N2O/c1-12-4-5(3-11-12)6(13)2-7(8,9)10/h3-4,6,13H,2H2,1H3.
What are the key properties of 3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol?
3,3,3-trifluoro-1-(1-methylpyrazol-4-yl)propan-1-ol has a molecular weight of 194.16 g/mol, XLogP of 1.41, 2 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-(1-methylpyrazol-4-yl)propan-1-ol is sourced from PubChem (CID 61088403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).