5-(3,3,3-trifluoropropoxy)-1H-pyrazole

C6H7F3N2O — CID 134587297

IUPAC5-(3,3,3-trifluoropropoxy)-1H-pyrazole
SMILESFC(F)(F)CCOc1ccn[nH]1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)2-4-12-5-1-3-10-11-5/h1,3H,2,4H2,(H,10,11)
InChIKeyYBXUDYWSQZPGPB-UHFFFAOYSA-N
MW180.13 g/mol
LogP1.74
Rot. Bonds3

About 5-(3,3,3-trifluoropropoxy)-1H-pyrazole

5-(3,3,3-trifluoropropoxy)-1H-pyrazole (PubChem CID 134587297) has the molecular formula C6H7F3N2O and a molecular weight of 180.13 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropoxy)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropoxy)-1H-pyrazole
PubChem CID134587297
Molecular FormulaC6H7F3N2O
Molecular Weight180.13 g/mol
Exact Mass180.05
IUPAC Name5-(3,3,3-trifluoropropoxy)-1H-pyrazole
SMILESFC(F)(F)CCOc1ccn[nH]1
InChIInChI=1S/C6H7F3N2O/c7-6(8,9)2-4-12-5-1-3-10-11-5/h1,3H,2,4H2,(H,10,11)
InChIKeyYBXUDYWSQZPGPB-UHFFFAOYSA-N
XLogP1.74
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.13
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropoxy)-1H-pyrazole?
The IUPAC name of 5-(3,3,3-trifluoropropoxy)-1H-pyrazole (CID 134587297) is 5-(3,3,3-trifluoropropoxy)-1H-pyrazole.
What is the SMILES notation for 5-(3,3,3-trifluoropropoxy)-1H-pyrazole?
The canonical SMILES for 5-(3,3,3-trifluoropropoxy)-1H-pyrazole is FC(F)(F)CCOc1ccn[nH]1.
What is the InChIKey of 5-(3,3,3-trifluoropropoxy)-1H-pyrazole?
The InChIKey is YBXUDYWSQZPGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2O/c7-6(8,9)2-4-12-5-1-3-10-11-5/h1,3H,2,4H2,(H,10,11).
What are the key properties of 5-(3,3,3-trifluoropropoxy)-1H-pyrazole?
5-(3,3,3-trifluoropropoxy)-1H-pyrazole has a molecular weight of 180.13 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropoxy)-1H-pyrazole is sourced from PubChem (CID 134587297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).