3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole

C10H5ClF4N2 — CID 107646902

IUPAC3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole
SMILESFc1cc(F)c(F)c(-n2ccc(CCl)n2)c1F
InChIInChI=1S/C10H5ClF4N2/c11-4-5-1-2-17(16-5)10-8(14)6(12)3-7(13)9(10)15/h1-3H,4H2
InChIKeyJUGDDJHCDDYPAU-UHFFFAOYSA-N
MW264.61 g/mol
LogP3.17
Rot. Bonds2

About 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole

3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole (PubChem CID 107646902) has the molecular formula C10H5ClF4N2 and a molecular weight of 264.61 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole
PubChem CID107646902
Molecular FormulaC10H5ClF4N2
Molecular Weight264.61 g/mol
Exact Mass264.01
IUPAC Name3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole
SMILESFc1cc(F)c(F)c(-n2ccc(CCl)n2)c1F
InChIInChI=1S/C10H5ClF4N2/c11-4-5-1-2-17(16-5)10-8(14)6(12)3-7(13)9(10)15/h1-3H,4H2
InChIKeyJUGDDJHCDDYPAU-UHFFFAOYSA-N
XLogP3.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.61
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole?
The IUPAC name of 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole (CID 107646902) is 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole.
What is the SMILES notation for 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole?
The canonical SMILES for 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole is Fc1cc(F)c(F)c(-n2ccc(CCl)n2)c1F.
What is the InChIKey of 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole?
The InChIKey is JUGDDJHCDDYPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5ClF4N2/c11-4-5-1-2-17(16-5)10-8(14)6(12)3-7(13)9(10)15/h1-3H,4H2.
What are the key properties of 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole?
3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole has a molecular weight of 264.61 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2,3,5,6-tetrafluorophenyl)pyrazole is sourced from PubChem (CID 107646902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).