4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole

C15H16BrFN2 — CID 59281391

IUPAC4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole
SMILESCc1nn(CC2CC2C)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H16BrFN2/c1-9-7-12(9)8-19-15(14(16)10(2)18-19)11-3-5-13(17)6-4-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCEMDCEQHSVINGT-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.42
Rot. Bonds3

About 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole

4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole (PubChem CID 59281391) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole.

Molecular Properties

Compound Name4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole
PubChem CID59281391
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole
SMILESCc1nn(CC2CC2C)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H16BrFN2/c1-9-7-12(9)8-19-15(14(16)10(2)18-19)11-3-5-13(17)6-4-11/h3-6,9,12H,7-8H2,1-2H3
InChIKeyCEMDCEQHSVINGT-UHFFFAOYSA-N
XLogP4.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole?
The IUPAC name of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole (CID 59281391) is 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole.
What is the SMILES notation for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole?
The canonical SMILES for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole is Cc1nn(CC2CC2C)c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole?
The InChIKey is CEMDCEQHSVINGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-9-7-12(9)8-19-15(14(16)10(2)18-19)11-3-5-13(17)6-4-11/h3-6,9,12H,7-8H2,1-2H3.
What are the key properties of 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole?
4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole has a molecular weight of 323.21 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-(4-fluorophenyl)-3-methyl-1-[(2-methylcyclopropyl)methyl]pyrazole is sourced from PubChem (CID 59281391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).