3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol

C6H7F3N2O — CID 138706385

IUPAC3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol
SMILESOC(CC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)3-5(12)4-1-2-10-11-4/h1-2,5,12H,3H2,(H,10,11)
InChIKeyJAHDTBIZHXIENH-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.40
Rot. Bonds2

About 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol

3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol (PubChem CID 138706385) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol
PubChem CID138706385
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol
SMILESOC(CC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)3-5(12)4-1-2-10-11-4/h1-2,5,12H,3H2,(H,10,11)
InChIKeyJAHDTBIZHXIENH-UHFFFAOYSA-N
XLogP1.40
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol (CID 138706385) is 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol is OC(CC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol?
The InChIKey is JAHDTBIZHXIENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)3-5(12)4-1-2-10-11-4/h1-2,5,12H,3H2,(H,10,11).
What are the key properties of 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol?
3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol has a molecular weight of 180.13 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-(1H-pyrazol-5-yl)propan-1-ol is sourced from PubChem (CID 138706385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).