1-(3,3,3-trifluoropropyl)pyrazole

C6H7F3N2 — CID 64565547

IUPAC1-(3,3,3-trifluoropropyl)pyrazole
SMILESFC(F)(F)CCn1cccn1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)2-5-11-4-1-3-10-11/h1,3-4H,2,5H2
InChIKeyCJAOZTONLWTEPW-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.84
Rot. Bonds2

About 1-(3,3,3-trifluoropropyl)pyrazole

1-(3,3,3-trifluoropropyl)pyrazole (PubChem CID 64565547) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 1-(3,3,3-trifluoropropyl)pyrazole.

Molecular Properties

Compound Name1-(3,3,3-trifluoropropyl)pyrazole
PubChem CID64565547
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name1-(3,3,3-trifluoropropyl)pyrazole
SMILESFC(F)(F)CCn1cccn1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)2-5-11-4-1-3-10-11/h1,3-4H,2,5H2
InChIKeyCJAOZTONLWTEPW-UHFFFAOYSA-N
XLogP1.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(trifluoromethyl)-1H-pyrazole
CID 18981687
1-(2,2,2-trifluoroethyl)-1H-pyrazole
CID 22747510
1H-Pyrazole, 1-methyl-
CID 70255
1-Ethylpyrazole
CID 498446
1-(2-bromoethyl)-1H-pyrazole
CID 642215
1-(prop-2-en-1-yl)-1H-pyrazole
CID 3489293
1-tert-Butyl-1H-pyrazole
CID 13469815
Pyrazol-1-yl-methanol
CID 242224
2-(1H-pyrazol-1-yl)ethan-1-amine
CID 1133022
1-(2-Chloroethyl)-1H-pyrazole
CID 642214
1-ethenyl-1H-pyrazole
CID 6420997
3-(1H-Pyrazol-1-yl)propanenitrile
CID 7023134

Frequently Asked Questions

What is the IUPAC name of 1-(3,3,3-trifluoropropyl)pyrazole?
The IUPAC name of 1-(3,3,3-trifluoropropyl)pyrazole (CID 64565547) is 1-(3,3,3-trifluoropropyl)pyrazole.
What is the SMILES notation for 1-(3,3,3-trifluoropropyl)pyrazole?
The canonical SMILES for 1-(3,3,3-trifluoropropyl)pyrazole is FC(F)(F)CCn1cccn1.
What is the InChIKey of 1-(3,3,3-trifluoropropyl)pyrazole?
The InChIKey is CJAOZTONLWTEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)2-5-11-4-1-3-10-11/h1,3-4H,2,5H2.
What are the key properties of 1-(3,3,3-trifluoropropyl)pyrazole?
1-(3,3,3-trifluoropropyl)pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,3-trifluoropropyl)pyrazole is sourced from PubChem (CID 64565547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).