[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone

C17H21N3O4 — CID 127264738

IUPAC[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone
SMILESCOc1cc(C(=O)N2CC[C@H](O)C2)ccc1OCc1cnn(C)c1
InChIInChI=1S/C17H21N3O4/c1-19-9-12(8-18-19)11-24-15-4-3-13(7-16(15)23-2)17(22)20-6-5-14(21)10-20/h3-4,7-9,14,21H,5-6,10-11H2,1-2H3/t14-/m0/s1
InChIKeyWFJPABRZDICYAE-AWEZNQCLSA-N
MW331.37 g/mol
LogP1.21
Rot. Bonds5

About [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone

[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone (PubChem CID 127264738) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone.

Molecular Properties

Compound Name[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone
PubChem CID127264738
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone
SMILESCOc1cc(C(=O)N2CC[C@H](O)C2)ccc1OCc1cnn(C)c1
InChIInChI=1S/C17H21N3O4/c1-19-9-12(8-18-19)11-24-15-4-3-13(7-16(15)23-2)17(22)20-6-5-14(21)10-20/h3-4,7-9,14,21H,5-6,10-11H2,1-2H3/t14-/m0/s1
InChIKeyWFJPABRZDICYAE-AWEZNQCLSA-N
XLogP1.21
TPSA76.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone with MolForge

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Related Compounds

(4-amino-3,3-dimethylpiperidin-1-yl)-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone;dihydrochloride
CID 120815454
(3-ethoxy-4-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 66261492
(3-methoxy-4-phenylmethoxyphenyl)-[4-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepan-1-yl]methanone
CID 86905497
(4-fluoro-3-methoxyphenyl)-[(3R)-3-hydroxypyrrolidin-1-yl]methanone
CID 81002014
[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanol
CID 28782967
[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(3-methoxy-4-phenylmethoxyphenyl)methanone
CID 9295714
(3,4-dimethoxyphenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 110749717
3-methoxy-N-[2-(methylamino)propyl]-4-[(1-methylpyrazol-4-yl)methoxy]benzamide
CID 120828179
[(3S)-3-hydroxypyrrolidin-1-yl]-(3-methoxy-4-nitrophenyl)methanone
CID 103745555
[(3R)-3-hydroxypyrrolidin-1-yl]-(2-methoxy-4-pyridinyl)methanone
CID 129492955
[(3S)-3-hydroxypyrrolidin-1-yl]-[4-(methoxymethyl)phenyl]methanone
CID 79029485
[3-(aminomethyl)pyrrolidin-1-yl]-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methanone;hydrochloride
CID 119486917

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone?
The IUPAC name of [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone (CID 127264738) is [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone.
What is the SMILES notation for [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone?
The canonical SMILES for [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone is COc1cc(C(=O)N2CC[C@H](O)C2)ccc1OCc1cnn(C)c1.
What is the InChIKey of [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone?
The InChIKey is WFJPABRZDICYAE-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-19-9-12(8-18-19)11-24-15-4-3-13(7-16(15)23-2)17(22)20-6-5-14(21)10-20/h3-4,7-9,14,21H,5-6,10-11H2,1-2H3/t14-/m0/s1.
What are the key properties of [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone?
[(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone has a molecular weight of 331.37 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-hydroxypyrrolidin-1-yl]-[3-methoxy-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methanone is sourced from PubChem (CID 127264738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).