4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole

C9H5Cl2FN2 — CID 67683215

IUPAC4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole
SMILESFc1cc(Cl)cc(-c2[nH]ncc2Cl)c1
InChIInChI=1S/C9H5Cl2FN2/c10-6-1-5(2-7(12)3-6)9-8(11)4-13-14-9/h1-4H,(H,13,14)
InChIKeyHKAWOKAVJKPRTL-UHFFFAOYSA-N
MW231.06 g/mol
LogP3.52
Rot. Bonds1

About 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole

4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole (PubChem CID 67683215) has the molecular formula C9H5Cl2FN2 and a molecular weight of 231.06 g/mol. Its IUPAC name is 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole.

Molecular Properties

Compound Name4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole
PubChem CID67683215
Molecular FormulaC9H5Cl2FN2
Molecular Weight231.06 g/mol
Exact Mass229.98
IUPAC Name4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole
SMILESFc1cc(Cl)cc(-c2[nH]ncc2Cl)c1
InChIInChI=1S/C9H5Cl2FN2/c10-6-1-5(2-7(12)3-6)9-8(11)4-13-14-9/h1-4H,(H,13,14)
InChIKeyHKAWOKAVJKPRTL-UHFFFAOYSA-N
XLogP3.52
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.06
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole?
The IUPAC name of 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole (CID 67683215) is 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole.
What is the SMILES notation for 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole?
The canonical SMILES for 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole is Fc1cc(Cl)cc(-c2[nH]ncc2Cl)c1.
What is the InChIKey of 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole?
The InChIKey is HKAWOKAVJKPRTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5Cl2FN2/c10-6-1-5(2-7(12)3-6)9-8(11)4-13-14-9/h1-4H,(H,13,14).
What are the key properties of 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole?
4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole has a molecular weight of 231.06 g/mol, XLogP of 3.52, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-chloro-5-fluorophenyl)-1H-pyrazole is sourced from PubChem (CID 67683215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).