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

C6H7F3N2 — CID 122483416

IUPAC5-(3,3,3-trifluoropropyl)-1H-pyrazole
SMILESFC(F)(F)CCc1ccn[nH]1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)3-1-5-2-4-10-11-5/h2,4H,1,3H2,(H,10,11)
InChIKeyRNZAEVFSLKGBJF-UHFFFAOYSA-N
MW164.13 g/mol
LogP1.90
Rot. Bonds2

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

5-(3,3,3-trifluoropropyl)-1H-pyrazole (PubChem CID 122483416) has the molecular formula C6H7F3N2 and a molecular weight of 164.13 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropyl)-1H-pyrazole.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropyl)-1H-pyrazole
PubChem CID122483416
Molecular FormulaC6H7F3N2
Molecular Weight164.13 g/mol
Exact Mass164.06
IUPAC Name5-(3,3,3-trifluoropropyl)-1H-pyrazole
SMILESFC(F)(F)CCc1ccn[nH]1
InChIInChI=1S/C6H7F3N2/c7-6(8,9)3-1-5-2-4-10-11-5/h2,4H,1,3H2,(H,10,11)
InChIKeyRNZAEVFSLKGBJF-UHFFFAOYSA-N
XLogP1.90
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.13
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(2-bromoethyl)-1H-pyrazole
CID 565479
2-(1H-pyrazol-5-yl)ethanethiol
CID 90977804
5-pentyl-1H-pyrazole
CID 13433979
5-[3-[3-(1H-pyrazol-5-yl)propoxy]propyl]-1H-pyrazole
CID 175090190
3-(1H-pyrazol-5-yl)propanenitrile
CID 59681732
5-[2-[2-chloro-4-(trifluoromethyl)phenyl]ethyl]-1H-pyrazole
CID 129168780
methyl-[2-(1H-pyrazol-5-yl)ethyl]borinic acid
CID 159593056
ethane;5-(2-methoxyethyl)-1H-pyrazole
CID 170603937
5-(2-methylsulfinylethyl)-1H-pyrazole
CID 137377880
3-(1H-pyrazol-5-yl)propanoic acid;hydrobromide
CID 175345589
N-ethyl-2-(1H-pyrazol-5-yl)ethanamine
CID 57167438
5-hexyl-1H-pyrazole;hydrobromide
CID 174992148

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropyl)-1H-pyrazole?
The IUPAC name of 5-(3,3,3-trifluoropropyl)-1H-pyrazole (CID 122483416) is 5-(3,3,3-trifluoropropyl)-1H-pyrazole.
What is the SMILES notation for 5-(3,3,3-trifluoropropyl)-1H-pyrazole?
The canonical SMILES for 5-(3,3,3-trifluoropropyl)-1H-pyrazole is FC(F)(F)CCc1ccn[nH]1.
What is the InChIKey of 5-(3,3,3-trifluoropropyl)-1H-pyrazole?
The InChIKey is RNZAEVFSLKGBJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2/c7-6(8,9)3-1-5-2-4-10-11-5/h2,4H,1,3H2,(H,10,11).
What are the key properties of 5-(3,3,3-trifluoropropyl)-1H-pyrazole?
5-(3,3,3-trifluoropropyl)-1H-pyrazole has a molecular weight of 164.13 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropyl)-1H-pyrazole is sourced from PubChem (CID 122483416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).