[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone

C20H20N4O — CID 99877322

IUPAC[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CC[C@@H](n4ccnn4)C3)cc2)cc1
InChIInChI=1S/C20H20N4O/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(25)23-12-10-19(14-23)24-13-11-21-22-24/h2-9,11,13,19H,10,12,14H2,1H3/t19-/m1/s1
InChIKeyCXEHCUHUWZOWSL-LJQANCHMSA-N
MW332.41 g/mol
LogP3.34
Rot. Bonds3

About [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone

[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone (PubChem CID 99877322) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
PubChem CID99877322
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
SMILESCc1ccc(-c2ccc(C(=O)N3CC[C@@H](n4ccnn4)C3)cc2)cc1
InChIInChI=1S/C20H20N4O/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(25)23-12-10-19(14-23)24-13-11-21-22-24/h2-9,11,13,19H,10,12,14H2,1H3/t19-/m1/s1
InChIKeyCXEHCUHUWZOWSL-LJQANCHMSA-N
XLogP3.34
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-(4-methylphenyl)phenyl]-[4-(triazol-1-yl)piperidin-1-yl]methanone
CID 121151194
pyridin-4-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150784
(4-thiophen-3-ylphenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877323
(3-bromophenyl)-[(3S)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877388
[4-(1,3-thiazol-2-yloxy)phenyl]-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150998
3H-benzimidazol-5-yl-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150916
[4-(3-chlorophenyl)phenyl]-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625226
(5-bromofuran-2-yl)-[3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 121150950
(5-chloro-2-methoxyphenyl)-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone
CID 99877296
(4-propan-2-yloxyphenyl)-[3-(triazol-1-yl)azetidin-1-yl]methanone
CID 91625210
2-(4-phenylphenoxy)-1-[3-(triazol-1-yl)pyrrolidin-1-yl]ethanone
CID 121150913
tert-butyl 3-(triazol-1-yl)pyrrolidine-1-carboxylate
CID 19005932

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone (CID 99877322) is [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone is Cc1ccc(-c2ccc(C(=O)N3CC[C@@H](n4ccnn4)C3)cc2)cc1.
What is the InChIKey of [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
The InChIKey is CXEHCUHUWZOWSL-LJQANCHMSA-N. The full InChI is InChI=1S/C20H20N4O/c1-15-2-4-16(5-3-15)17-6-8-18(9-7-17)20(25)23-12-10-19(14-23)24-13-11-21-22-24/h2-9,11,13,19H,10,12,14H2,1H3/t19-/m1/s1.
What are the key properties of [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone?
[4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone has a molecular weight of 332.41 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)phenyl]-[(3R)-3-(triazol-1-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 99877322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).