2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone

C20H20N4O — CID 141039818

IUPAC2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCCC1c1ncn[nH]1
InChIInChI=1S/C20H20N4O/c25-19(24-12-4-7-18(24)20-21-14-22-23-20)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,21,22,23)
InChIKeyIGGZLRODDVNIGV-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.38
Rot. Bonds4

About 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone

2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone (PubChem CID 141039818) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
PubChem CID141039818
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone
SMILESO=C(Cc1ccc(-c2ccccc2)cc1)N1CCCC1c1ncn[nH]1
InChIInChI=1S/C20H20N4O/c25-19(24-12-4-7-18(24)20-21-14-22-23-20)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,21,22,23)
InChIKeyIGGZLRODDVNIGV-UHFFFAOYSA-N
XLogP3.38
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-benzyl-2-(1H-1,2,4-triazol-5-yl)piperidine-1-carboxamide
CID 97346259
2-phenyl-1-[(2S)-2-[6-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-3H-benzimidazol-5-yl]phenyl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
CID 160567212
2-(1,2-benzoxazol-3-yl)-1-[(2S)-2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 97254701
1-[2-[5-(4-chlorophenyl)-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 146132426
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone;sulfane
CID 159985199
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-(2-phenylacetyl)pyrrolidin-2-yl]-1,3-thiazol-5-yl]phenyl]phenyl]-1,3-thiazol-2-yl]pyrrolidin-1-yl]ethanone
CID 138481518
2-phenyl-1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[2-(pyrrolidin-1-ylmethyl)phenyl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]ethanone
CID 70986628
2-(benzotriazol-1-yl)-1-[2-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanone
CID 154799821
2-(4-fluorophenyl)-1-[(2S)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]ethanone
CID 93015293
1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 136525808
1-[(2S)-2-[5-[4-[4-[2-[(2S)-1-[2-[(2R)-2-amino-4-methyl-1H-azet-2-yl]acetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 70986255
2-phenyl-1-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]ethanone
CID 124625631

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone (CID 141039818) is 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone is O=C(Cc1ccc(-c2ccccc2)cc1)N1CCCC1c1ncn[nH]1.
What is the InChIKey of 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is IGGZLRODDVNIGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c25-19(24-12-4-7-18(24)20-21-14-22-23-20)13-15-8-10-17(11-9-15)16-5-2-1-3-6-16/h1-3,5-6,8-11,14,18H,4,7,12-13H2,(H,21,22,23).
What are the key properties of 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone?
2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 332.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)-1-[2-(1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 141039818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).