(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

C18H26N4O2 — CID 129482534

IUPAC(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCOc1ccc(CCN2CC[C@](O)(c3cn(C(C)C)nn3)C2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(2)22-12-17(19-20-22)18(23)9-11-21(13-18)10-8-15-4-6-16(24-3)7-5-15/h4-7,12,14,23H,8-11,13H2,1-3H3/t18-/m1/s1
InChIKeyATDWGZHOXDKXBT-GOSISDBHSA-N
MW330.43 g/mol
LogP2.00
Rot. Bonds6

About (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol

(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (PubChem CID 129482534) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
PubChem CID129482534
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
SMILESCOc1ccc(CCN2CC[C@](O)(c3cn(C(C)C)nn3)C2)cc1
InChIInChI=1S/C18H26N4O2/c1-14(2)22-12-17(19-20-22)18(23)9-11-21(13-18)10-8-15-4-6-16(24-3)7-5-15/h4-7,12,14,23H,8-11,13H2,1-3H3/t18-/m1/s1
InChIKeyATDWGZHOXDKXBT-GOSISDBHSA-N
XLogP2.00
TPSA63.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(2-phenoxyethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129482810
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
1-[2-(4-methoxyphenyl)ethyl]-3-methylpyrrolidin-3-ol
CID 103728682
(3R)-1-[(2-ethylpyrazol-3-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 129486181
1-[2-(4-methoxyphenyl)ethyl]-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106984211
1-[(5-chloro-2-fluorophenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756770
1-(4-methoxypyrimidin-2-yl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 128977033
3-(1-propan-2-yltriazol-4-yl)-1-[2-(2,2,2-trifluoroethoxy)ethyl]piperidin-3-ol
CID 128980388
1-[2-(4-methoxyphenyl)ethyl]-3-methylpiperidin-3-ol
CID 115873746
1-(imidazo[1,2-a]pyridin-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol
CID 154756773
(3R)-1-[(3-methylimidazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486298

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol (CID 129482534) is (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is COc1ccc(CCN2CC[C@](O)(c3cn(C(C)C)nn3)C2)cc1.
What is the InChIKey of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
The InChIKey is ATDWGZHOXDKXBT-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-14(2)22-12-17(19-20-22)18(23)9-11-21(13-18)10-8-15-4-6-16(24-3)7-5-15/h4-7,12,14,23H,8-11,13H2,1-3H3/t18-/m1/s1.
What are the key properties of (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol?
(3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol has a molecular weight of 330.43 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[2-(4-methoxyphenyl)ethyl]-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 129482534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).