[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone

C18H24N4O3 — CID 129484338

IUPAC[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1
InChIInChI=1S/C18H24N4O3/c1-13(2)22-10-16(19-20-22)18(24)7-8-21(12-18)17(23)15-6-4-5-14(9-15)11-25-3/h4-6,9-10,13,24H,7-8,11-12H2,1-3H3/t18-/m1/s1
InChIKeyQCFSCNAGZJQAQY-GOSISDBHSA-N
MW344.42 g/mol
LogP1.74
Rot. Bonds5

About [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone

[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone (PubChem CID 129484338) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone.

Molecular Properties

Compound Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
PubChem CID129484338
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone
SMILESCOCc1cccc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1
InChIInChI=1S/C18H24N4O3/c1-13(2)22-10-16(19-20-22)18(24)7-8-21(12-18)17(23)15-6-4-5-14(9-15)11-25-3/h4-6,9-10,13,24H,7-8,11-12H2,1-3H3/t18-/m1/s1
InChIKeyQCFSCNAGZJQAQY-GOSISDBHSA-N
XLogP1.74
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[2-(methoxymethyl)phenyl]methanone
CID 128982533
1-[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-2-(3-methoxyphenyl)ethanone
CID 129484596
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-5-yl)methanone
CID 128981280
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[1-(2-methylpropyl)pyrazol-4-yl]methanone
CID 129483607
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indol-7-yl)methanone
CID 129483190
(2-chlorofuran-3-yl)-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]methanone
CID 128981287
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-(1H-indazol-3-yl)methanone
CID 129484284
3-(furan-3-yl)-1-[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]propan-1-one
CID 128981355
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 129483484
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-6-ylmethanone
CID 128981869
[3-hydroxy-3-(1-propan-2-yltriazol-4-yl)piperidin-1-yl]-imidazo[1,2-a]pyridin-5-ylmethanone
CID 167834711

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The IUPAC name of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone (CID 129484338) is [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone.
What is the SMILES notation for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The canonical SMILES for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone is COCc1cccc(C(=O)N2CC[C@](O)(c3cn(C(C)C)nn3)C2)c1.
What is the InChIKey of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
The InChIKey is QCFSCNAGZJQAQY-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-13(2)22-10-16(19-20-22)18(24)7-8-21(12-18)17(23)15-6-4-5-14(9-15)11-25-3/h4-6,9-10,13,24H,7-8,11-12H2,1-3H3/t18-/m1/s1.
What are the key properties of [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone?
[(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone has a molecular weight of 344.42 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-hydroxy-3-(1-propan-2-yltriazol-4-yl)pyrrolidin-1-yl]-[3-(methoxymethyl)phenyl]methanone is sourced from PubChem (CID 129484338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).