1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole

C16H17FN4 — CID 46980420

IUPAC1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole
SMILESCCC(c1ccc(F)cc1)n1cncc1-c1cnn(C)c1
InChIInChI=1S/C16H17FN4/c1-3-15(12-4-6-14(17)7-5-12)21-11-18-9-16(21)13-8-19-20(2)10-13/h4-11,15H,3H2,1-2H3
InChIKeyGLVLKZZWCAZOJH-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.42
Rot. Bonds4

About 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole

1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole (PubChem CID 46980420) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole
PubChem CID46980420
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole
SMILESCCC(c1ccc(F)cc1)n1cncc1-c1cnn(C)c1
InChIInChI=1S/C16H17FN4/c1-3-15(12-4-6-14(17)7-5-12)21-11-18-9-16(21)13-8-19-20(2)10-13/h4-11,15H,3H2,1-2H3
InChIKeyGLVLKZZWCAZOJH-UHFFFAOYSA-N
XLogP3.42
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
The IUPAC name of 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole (CID 46980420) is 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole.
What is the SMILES notation for 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
The canonical SMILES for 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole is CCC(c1ccc(F)cc1)n1cncc1-c1cnn(C)c1.
What is the InChIKey of 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
The InChIKey is GLVLKZZWCAZOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-3-15(12-4-6-14(17)7-5-12)21-11-18-9-16(21)13-8-19-20(2)10-13/h4-11,15H,3H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole?
1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole has a molecular weight of 284.34 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)propyl]-5-(1-methylpyrazol-4-yl)imidazole is sourced from PubChem (CID 46980420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).