5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole

C19H15FN4 — CID 174918681

IUPAC5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole
SMILESCc1ccc(-n2cc(-c3ccc(F)cc3)c(-c3ncn[nH]3)c2)cc1
InChIInChI=1S/C19H15FN4/c1-13-2-8-16(9-3-13)24-10-17(14-4-6-15(20)7-5-14)18(11-24)19-21-12-22-23-19/h2-12H,1H3,(H,21,22,23)
InChIKeyNRWATVKVMKZWSK-UHFFFAOYSA-N
MW318.36 g/mol
LogP4.38
Rot. Bonds3

About 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole

5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole (PubChem CID 174918681) has the molecular formula C19H15FN4 and a molecular weight of 318.36 g/mol. Its IUPAC name is 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole
PubChem CID174918681
Molecular FormulaC19H15FN4
Molecular Weight318.36 g/mol
Exact Mass318.13
IUPAC Name5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole
SMILESCc1ccc(-n2cc(-c3ccc(F)cc3)c(-c3ncn[nH]3)c2)cc1
InChIInChI=1S/C19H15FN4/c1-13-2-8-16(9-3-13)24-10-17(14-4-6-15(20)7-5-14)18(11-24)19-21-12-22-23-19/h2-12H,1H3,(H,21,22,23)
InChIKeyNRWATVKVMKZWSK-UHFFFAOYSA-N
XLogP4.38
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.36
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole (CID 174918681) is 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole is Cc1ccc(-n2cc(-c3ccc(F)cc3)c(-c3ncn[nH]3)c2)cc1.
What is the InChIKey of 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole?
The InChIKey is NRWATVKVMKZWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4/c1-13-2-8-16(9-3-13)24-10-17(14-4-6-15(20)7-5-14)18(11-24)19-21-12-22-23-19/h2-12H,1H3,(H,21,22,23).
What are the key properties of 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole?
5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole has a molecular weight of 318.36 g/mol, XLogP of 4.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-fluorophenyl)-1-(4-methylphenyl)pyrrol-3-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 174918681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).