4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole

C15H16BrFN2 — CID 59281451

IUPAC4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1nn(CCC2CC2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H16BrFN2/c1-10-14(16)15(12-4-6-13(17)7-5-12)19(18-10)9-8-11-2-3-11/h4-7,11H,2-3,8-9H2,1H3
InChIKeyHDLCDLWTFXNPJJ-UHFFFAOYSA-N
MW323.21 g/mol
LogP4.56
Rot. Bonds4

About 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole

4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole (PubChem CID 59281451) has the molecular formula C15H16BrFN2 and a molecular weight of 323.21 g/mol. Its IUPAC name is 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole.

Molecular Properties

Compound Name4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole
PubChem CID59281451
Molecular FormulaC15H16BrFN2
Molecular Weight323.21 g/mol
Exact Mass322.05
IUPAC Name4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole
SMILESCc1nn(CCC2CC2)c(-c2ccc(F)cc2)c1Br
InChIInChI=1S/C15H16BrFN2/c1-10-14(16)15(12-4-6-13(17)7-5-12)19(18-10)9-8-11-2-3-11/h4-7,11H,2-3,8-9H2,1H3
InChIKeyHDLCDLWTFXNPJJ-UHFFFAOYSA-N
XLogP4.56
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.21
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
The IUPAC name of 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole (CID 59281451) is 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole.
What is the SMILES notation for 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
The canonical SMILES for 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole is Cc1nn(CCC2CC2)c(-c2ccc(F)cc2)c1Br.
What is the InChIKey of 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
The InChIKey is HDLCDLWTFXNPJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrFN2/c1-10-14(16)15(12-4-6-13(17)7-5-12)19(18-10)9-8-11-2-3-11/h4-7,11H,2-3,8-9H2,1H3.
What are the key properties of 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole?
4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole has a molecular weight of 323.21 g/mol, XLogP of 4.56, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(2-cyclopropylethyl)-5-(4-fluorophenyl)-3-methylpyrazole is sourced from PubChem (CID 59281451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).