phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone

C19H14N4O — CID 155803434

IUPACphenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1n[nH]nc1-c1[nH]ccc1-c1ccccc1
InChIInChI=1S/C19H14N4O/c24-19(14-9-5-2-6-10-14)18-17(21-23-22-18)16-15(11-12-20-16)13-7-3-1-4-8-13/h1-12,20H,(H,21,22,23)
InChIKeySGCMBKIGFSPOSY-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.70
Rot. Bonds4

About phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone

phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone (PubChem CID 155803434) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone.

Molecular Properties

Compound Namephenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone
PubChem CID155803434
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Namephenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone
SMILESO=C(c1ccccc1)c1n[nH]nc1-c1[nH]ccc1-c1ccccc1
InChIInChI=1S/C19H14N4O/c24-19(14-9-5-2-6-10-14)18-17(21-23-22-18)16-15(11-12-20-16)13-7-3-1-4-8-13/h1-12,20H,(H,21,22,23)
InChIKeySGCMBKIGFSPOSY-UHFFFAOYSA-N
XLogP3.70
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-phenyl-2-(3-phenyl-1H-pyrrol-2-yl)-1H-pyrrole
CID 102186152
phenyl-(2,4,6-triphenylphenyl)methanone
CID 3631606
5-(2-hydroxyphenyl)-2H-triazole-4-carboxylic acid
CID 135478439
4,5-diphenyl-2H-triazole
CID 613500
(2,4-dichlorophenyl)-(5-phenyl-2H-triazol-4-yl)methanone
CID 135057764
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
cyclopropyl-(5-phenyl-2H-triazol-4-yl)methanone
CID 138981933
(2-methyl-1H-pyrrol-3-yl)-phenylmethanone
CID 15883182
(2-chloro-1H-pyrrol-3-yl)-phenylmethanone
CID 68753347
(5-benzoyl-3-phenyl-1H-pyrazol-4-yl)-phenylmethanone
CID 171985656
3-phenyl-1H-pyrrole-2-carbohydrazide
CID 90424323
2-(3-benzoyl-1H-pyrrol-2-yl)acetic acid
CID 86174561

Frequently Asked Questions

What is the IUPAC name of phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone?
The IUPAC name of phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone (CID 155803434) is phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone.
What is the SMILES notation for phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone?
The canonical SMILES for phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone is O=C(c1ccccc1)c1n[nH]nc1-c1[nH]ccc1-c1ccccc1.
What is the InChIKey of phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone?
The InChIKey is SGCMBKIGFSPOSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(14-9-5-2-6-10-14)18-17(21-23-22-18)16-15(11-12-20-16)13-7-3-1-4-8-13/h1-12,20H,(H,21,22,23).
What are the key properties of phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone?
phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone has a molecular weight of 314.35 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[5-(3-phenyl-1H-pyrrol-2-yl)-2H-triazol-4-yl]methanone is sourced from PubChem (CID 155803434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).