5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole

C6H5F5N2 — CID 91600534

IUPAC5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
SMILESCc1cc(C(F)(F)C(F)(F)F)n[nH]1
InChIInChI=1S/C6H5F5N2/c1-3-2-4(13-12-3)5(7,8)6(9,10)11/h2H,1H3,(H,12,13)
InChIKeyVMMUPUJDNLJKPM-UHFFFAOYSA-N
MW200.11 g/mol
LogP2.37
Rot. Bonds1

About 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole

5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole (PubChem CID 91600534) has the molecular formula C6H5F5N2 and a molecular weight of 200.11 g/mol. Its IUPAC name is 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole.

Molecular Properties

Compound Name5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
PubChem CID91600534
Molecular FormulaC6H5F5N2
Molecular Weight200.11 g/mol
Exact Mass200.04
IUPAC Name5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole
SMILESCc1cc(C(F)(F)C(F)(F)F)n[nH]1
InChIInChI=1S/C6H5F5N2/c1-3-2-4(13-12-3)5(7,8)6(9,10)11/h2H,1H3,(H,12,13)
InChIKeyVMMUPUJDNLJKPM-UHFFFAOYSA-N
XLogP2.37
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.11
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The IUPAC name of 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole (CID 91600534) is 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole.
What is the SMILES notation for 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The canonical SMILES for 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole is Cc1cc(C(F)(F)C(F)(F)F)n[nH]1.
What is the InChIKey of 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
The InChIKey is VMMUPUJDNLJKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F5N2/c1-3-2-4(13-12-3)5(7,8)6(9,10)11/h2H,1H3,(H,12,13).
What are the key properties of 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole?
5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole has a molecular weight of 200.11 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazole is sourced from PubChem (CID 91600534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).