4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole

C11H10ClFN2 — CID 118289528

IUPAC4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2CCCl)cc1
InChIInChI=1S/C11H10ClFN2/c12-6-5-9-7-14-15-11(9)8-1-3-10(13)4-2-8/h1-4,7H,5-6H2,(H,14,15)
InChIKeyTYMQAULQGPVLNN-UHFFFAOYSA-N
MW224.67 g/mol
LogP3.00
Rot. Bonds3

About 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole

4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole (PubChem CID 118289528) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
PubChem CID118289528
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole
SMILESFc1ccc(-c2[nH]ncc2CCCl)cc1
InChIInChI=1S/C11H10ClFN2/c12-6-5-9-7-14-15-11(9)8-1-3-10(13)4-2-8/h1-4,7H,5-6H2,(H,14,15)
InChIKeyTYMQAULQGPVLNN-UHFFFAOYSA-N
XLogP3.00
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole (CID 118289528) is 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole is Fc1ccc(-c2[nH]ncc2CCCl)cc1.
What is the InChIKey of 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole?
The InChIKey is TYMQAULQGPVLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c12-6-5-9-7-14-15-11(9)8-1-3-10(13)4-2-8/h1-4,7H,5-6H2,(H,14,15).
What are the key properties of 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole?
4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole has a molecular weight of 224.67 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethyl)-5-(4-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 118289528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).