5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole

C28H24ClFN4 — CID 10050433

IUPAC5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole
SMILESCc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C28H24ClFN4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3
InChIKeyDQCGCILDBMFEOE-UHFFFAOYSA-N
MW470.98 g/mol
LogP7.29
Rot. Bonds5

About 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole

5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole (PubChem CID 10050433) has the molecular formula C28H24ClFN4 and a molecular weight of 470.98 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole
PubChem CID10050433
Molecular FormulaC28H24ClFN4
Molecular Weight470.98 g/mol
Exact Mass470.17
IUPAC Name5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole
SMILESCc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccccc2F)c1-c1ccc(Cl)cc1
InChIInChI=1S/C28H24ClFN4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3
InChIKeyDQCGCILDBMFEOE-UHFFFAOYSA-N
XLogP7.29
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.98
LogP ≤ 57.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole (CID 10050433) is 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole is Cc1c(-c2cn(C(C)(C)c3ccccc3)cn2)nn(-c2ccccc2F)c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
The InChIKey is DQCGCILDBMFEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClFN4/c1-19-26(24-17-33(18-31-24)28(2,3)21-9-5-4-6-10-21)32-34(25-12-8-7-11-23(25)30)27(19)20-13-15-22(29)16-14-20/h4-18H,1-3H3.
What are the key properties of 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole?
5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole has a molecular weight of 470.98 g/mol, XLogP of 7.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-1-(2-fluorophenyl)-4-methyl-3-[1-(2-phenylpropan-2-yl)imidazol-4-yl]pyrazole is sourced from PubChem (CID 10050433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).