4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole

C13H10BrCl2FN2 — CID 67073973

IUPAC4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2nn(CC3CC3(Cl)Cl)cc2Br)cc1
InChIInChI=1S/C13H10BrCl2FN2/c14-11-7-19(6-9-5-13(9,15)16)18-12(11)8-1-3-10(17)4-2-8/h1-4,7,9H,5-6H2
InChIKeyUPNBSIGXTJBYDJ-UHFFFAOYSA-N
MW364.05 g/mol
LogP4.65
Rot. Bonds3

About 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole

4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole (PubChem CID 67073973) has the molecular formula C13H10BrCl2FN2 and a molecular weight of 364.05 g/mol. Its IUPAC name is 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole
PubChem CID67073973
Molecular FormulaC13H10BrCl2FN2
Molecular Weight364.05 g/mol
Exact Mass361.94
IUPAC Name4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole
SMILESFc1ccc(-c2nn(CC3CC3(Cl)Cl)cc2Br)cc1
InChIInChI=1S/C13H10BrCl2FN2/c14-11-7-19(6-9-5-13(9,15)16)18-12(11)8-1-3-10(17)4-2-8/h1-4,7,9H,5-6H2
InChIKeyUPNBSIGXTJBYDJ-UHFFFAOYSA-N
XLogP4.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.05
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole?
The IUPAC name of 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole (CID 67073973) is 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole.
What is the SMILES notation for 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole?
The canonical SMILES for 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole is Fc1ccc(-c2nn(CC3CC3(Cl)Cl)cc2Br)cc1.
What is the InChIKey of 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole?
The InChIKey is UPNBSIGXTJBYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2FN2/c14-11-7-19(6-9-5-13(9,15)16)18-12(11)8-1-3-10(17)4-2-8/h1-4,7,9H,5-6H2.
What are the key properties of 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole?
4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole has a molecular weight of 364.05 g/mol, XLogP of 4.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(2,2-dichlorocyclopropyl)methyl]-3-(4-fluorophenyl)pyrazole is sourced from PubChem (CID 67073973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).