4-(2,2,2-trifluoroethyl)-1H-pyrazole

C5H5F3N2 — CID 91351724

IUPAC4-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESFC(F)(F)Cc1cn[nH]c1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)1-4-2-9-10-3-4/h2-3H,1H2,(H,9,10)
InChIKeyPITODTLPDGPWRY-UHFFFAOYSA-N
MW150.10 g/mol
LogP1.51
Rot. Bonds1

About 4-(2,2,2-trifluoroethyl)-1H-pyrazole

4-(2,2,2-trifluoroethyl)-1H-pyrazole (PubChem CID 91351724) has the molecular formula C5H5F3N2 and a molecular weight of 150.10 g/mol. Its IUPAC name is 4-(2,2,2-trifluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2,2,2-trifluoroethyl)-1H-pyrazole
PubChem CID91351724
Molecular FormulaC5H5F3N2
Molecular Weight150.10 g/mol
Exact Mass150.04
IUPAC Name4-(2,2,2-trifluoroethyl)-1H-pyrazole
SMILESFC(F)(F)Cc1cn[nH]c1
InChIInChI=1S/C5H5F3N2/c6-5(7,8)1-4-2-9-10-3-4/h2-3H,1H2,(H,9,10)
InChIKeyPITODTLPDGPWRY-UHFFFAOYSA-N
XLogP1.51
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.10
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrazole?
The IUPAC name of 4-(2,2,2-trifluoroethyl)-1H-pyrazole (CID 91351724) is 4-(2,2,2-trifluoroethyl)-1H-pyrazole.
What is the SMILES notation for 4-(2,2,2-trifluoroethyl)-1H-pyrazole?
The canonical SMILES for 4-(2,2,2-trifluoroethyl)-1H-pyrazole is FC(F)(F)Cc1cn[nH]c1.
What is the InChIKey of 4-(2,2,2-trifluoroethyl)-1H-pyrazole?
The InChIKey is PITODTLPDGPWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F3N2/c6-5(7,8)1-4-2-9-10-3-4/h2-3H,1H2,(H,9,10).
What are the key properties of 4-(2,2,2-trifluoroethyl)-1H-pyrazole?
4-(2,2,2-trifluoroethyl)-1H-pyrazole has a molecular weight of 150.10 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,2-trifluoroethyl)-1H-pyrazole is sourced from PubChem (CID 91351724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).