(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone

C15H18N4O2 — CID 121178518

IUPAC(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(n3nccn3)C2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-21-14-5-3-12(4-6-14)15(20)18-10-7-13(11-18)19-16-8-9-17-19/h3-6,8-9,13H,2,7,10-11H2,1H3
InChIKeyGMFRRHSQDVCXRF-UHFFFAOYSA-N
MW286.34 g/mol
LogP1.76
Rot. Bonds4

About (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone

(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone (PubChem CID 121178518) has the molecular formula C15H18N4O2 and a molecular weight of 286.34 g/mol. Its IUPAC name is (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
PubChem CID121178518
Molecular FormulaC15H18N4O2
Molecular Weight286.34 g/mol
Exact Mass286.14
IUPAC Name(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone
SMILESCCOc1ccc(C(=O)N2CCC(n3nccn3)C2)cc1
InChIInChI=1S/C15H18N4O2/c1-2-21-14-5-3-12(4-6-14)15(20)18-10-7-13(11-18)19-16-8-9-17-19/h3-6,8-9,13H,2,7,10-11H2,1H3
InChIKeyGMFRRHSQDVCXRF-UHFFFAOYSA-N
XLogP1.76
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-methoxyethoxy)phenyl]-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124891782
[4-(2-methoxyethoxy)phenyl]-[4-(triazol-2-yl)piperidin-1-yl]methanone
CID 121164916
(4-tert-butylphenyl)-[(3S)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124760499
(4-fluorophenyl)-[(3R)-3-(triazol-2-yl)pyrrolidin-1-yl]methanone
CID 124759378
(4-ethoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261765
(3-aminopyrrolidin-1-yl)-(4-ethoxyphenyl)methanone
CID 62068283
(4-ethoxyphenyl)-[(3S)-3-methylpiperidin-1-yl]methanone
CID 669383
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
(4-ethoxyphenyl)-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 55168284
1-[1-(4-ethoxybenzoyl)piperidin-4-yl]-3-ethylimidazolidin-2-one
CID 50789347
2-(4-chlorophenoxy)-1-[3-(triazol-2-yl)pyrrolidin-1-yl]ethanone
CID 121178537
[3-(aminomethyl)-4-methylpiperidin-1-yl]-(4-ethoxyphenyl)methanone
CID 114960591

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone (CID 121178518) is (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone is CCOc1ccc(C(=O)N2CCC(n3nccn3)C2)cc1.
What is the InChIKey of (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
The InChIKey is GMFRRHSQDVCXRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-2-21-14-5-3-12(4-6-14)15(20)18-10-7-13(11-18)19-16-8-9-17-19/h3-6,8-9,13H,2,7,10-11H2,1H3.
What are the key properties of (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone?
(4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone has a molecular weight of 286.34 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyphenyl)-[3-(triazol-2-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 121178518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).