(5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

C15H19N3O3 — CID 138009259

IUPAC(5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H]2Cc2ccnn2C)o1
InChIInChI=1S/C15H19N3O3/c1-17-11(7-8-16-17)10-12-4-3-9-18(12)15(19)13-5-6-14(20-2)21-13/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyZTUALOPJZSJPBX-LBPRGKRZSA-N
MW289.33 g/mol
LogP1.87
Rot. Bonds4

About (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone

(5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 138009259) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID138009259
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name(5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCC[C@H]2Cc2ccnn2C)o1
InChIInChI=1S/C15H19N3O3/c1-17-11(7-8-16-17)10-12-4-3-9-18(12)15(19)13-5-6-14(20-2)21-13/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1
InChIKeyZTUALOPJZSJPBX-LBPRGKRZSA-N
XLogP1.87
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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Related Compounds

[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(5-methylfuran-2-yl)methanone
CID 66261406
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone
CID 119650375
[(2R)-2-[(4-methoxyphenyl)methyl]pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 94620742
[2-(methylaminomethyl)pyrrolidin-1-yl]-(5-phenoxyfuran-2-yl)methanone;hydrochloride
CID 119650374
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
(2S)-N-[(1R,2R)-2-(furan-2-yl)cyclopropyl]-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 138010502
[2-(aminomethyl)pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone;hydrochloride
CID 119632620
(5-bromofuran-2-yl)-(2-ethylazepan-1-yl)methanone
CID 115642379
2-(hydroxymethyl)-N-[(2-methylpyrazol-3-yl)methyl]pyrrolidine-1-carboxamide
CID 111427948
[5-(aminomethyl)furan-2-yl]-[2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 126775705
[5-(aminomethyl)furan-2-yl]-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 124686131
[1-[(4-fluoro-2-methylphenyl)methyl]cyclopropyl]-[(2R)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone
CID 155961496

Frequently Asked Questions

What is the IUPAC name of (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone (CID 138009259) is (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is COc1ccc(C(=O)N2CCC[C@H]2Cc2ccnn2C)o1.
What is the InChIKey of (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is ZTUALOPJZSJPBX-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-17-11(7-8-16-17)10-12-4-3-9-18(12)15(19)13-5-6-14(20-2)21-13/h5-8,12H,3-4,9-10H2,1-2H3/t12-/m0/s1.
What are the key properties of (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone?
(5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 289.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxyfuran-2-yl)-[(2S)-2-[(2-methylpyrazol-3-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 138009259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).