1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol

C15H20N4O2 — CID 154756940

IUPAC1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESCOc1ccc(CCN2CCC(O)(c3cn[nH]n3)C2)cc1
InChIInChI=1S/C15H20N4O2/c1-21-13-4-2-12(3-5-13)6-8-19-9-7-15(20,11-19)14-10-16-18-17-14/h2-5,10,20H,6-9,11H2,1H3,(H,16,17,18)
InChIKeyBHBPZDPOQVTORY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.95
Rot. Bonds5

About 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol

1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol (PubChem CID 154756940) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
PubChem CID154756940
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
SMILESCOc1ccc(CCN2CCC(O)(c3cn[nH]n3)C2)cc1
InChIInChI=1S/C15H20N4O2/c1-21-13-4-2-12(3-5-13)6-8-19-9-7-15(20,11-19)14-10-16-18-17-14/h2-5,10,20H,6-9,11H2,1H3,(H,16,17,18)
InChIKeyBHBPZDPOQVTORY-UHFFFAOYSA-N
XLogP0.95
TPSA74.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482534
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954603
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
3-(4-ethoxyphenyl)-1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 128981286
1-[3-hydroxy-3-(2H-triazol-4-yl)pyrrolidin-1-yl]-3-(3-methoxyphenyl)propan-1-one
CID 128981400
1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128978600
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129485616
(3S)-3-(2H-triazol-4-yl)-1-[[3-(2,2,2-trifluoroethoxy)phenyl]methyl]pyrrolidin-3-ol
CID 129486305
1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984211
3-ethyl-1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperazine
CID 64923987

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol (CID 154756940) is 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol is COc1ccc(CCN2CCC(O)(c3cn[nH]n3)C2)cc1.
What is the InChIKey of 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
The InChIKey is BHBPZDPOQVTORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-13-4-2-12(3-5-13)6-8-19-9-7-15(20,11-19)14-10-16-18-17-14/h2-5,10,20H,6-9,11H2,1H3,(H,16,17,18).
What are the key properties of 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol?
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol has a molecular weight of 288.35 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 154756940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).