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

C18H13FN4 — CID 174918191

IUPAC5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole
SMILESFc1ccc(-n2cc(-c3ccccc3)c(-c3ncn[nH]3)c2)cc1
InChIInChI=1S/C18H13FN4/c19-14-6-8-15(9-7-14)23-10-16(13-4-2-1-3-5-13)17(11-23)18-20-12-21-22-18/h1-12H,(H,20,21,22)
InChIKeyKKXQDXFBBBKDRL-UHFFFAOYSA-N
MW304.33 g/mol
LogP4.07
Rot. Bonds3

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

5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole (PubChem CID 174918191) has the molecular formula C18H13FN4 and a molecular weight of 304.33 g/mol. Its IUPAC name is 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole
PubChem CID174918191
Molecular FormulaC18H13FN4
Molecular Weight304.33 g/mol
Exact Mass304.11
IUPAC Name5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole
SMILESFc1ccc(-n2cc(-c3ccccc3)c(-c3ncn[nH]3)c2)cc1
InChIInChI=1S/C18H13FN4/c19-14-6-8-15(9-7-14)23-10-16(13-4-2-1-3-5-13)17(11-23)18-20-12-21-22-18/h1-12H,(H,20,21,22)
InChIKeyKKXQDXFBBBKDRL-UHFFFAOYSA-N
XLogP4.07
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.33
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23647348
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CID 2501092
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CID 2764127
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CID 137640071
CID 137640071
CID 19976317
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CID 19976416
CID 19976416
CID 19976810
CID 19976810
CID 57391080
CID 57391080
CID 57392864
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CID 57392865
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CID 57398134
CID 57398134

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole?
The IUPAC name of 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole (CID 174918191) is 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole is Fc1ccc(-n2cc(-c3ccccc3)c(-c3ncn[nH]3)c2)cc1.
What is the InChIKey of 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole?
The InChIKey is KKXQDXFBBBKDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4/c19-14-6-8-15(9-7-14)23-10-16(13-4-2-1-3-5-13)17(11-23)18-20-12-21-22-18/h1-12H,(H,20,21,22).
What are the key properties of 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole?
5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole has a molecular weight of 304.33 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-fluorophenyl)-4-phenylpyrrol-3-yl]-1H-1,2,4-triazole is sourced from PubChem (CID 174918191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).