1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

C17H21N3O2 — CID 94589837

IUPAC1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-10-18-19(11-13)12-17(21)20-9-3-4-16(20)14-5-7-15(22-2)8-6-14/h5-8,10-11,16H,3-4,9,12H2,1-2H3/t16-/m1/s1
InChIKeyFVJZVNWICDYZHB-MRXNPFEDSA-N
MW299.37 g/mol
LogP2.56
Rot. Bonds4

About 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone

1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (PubChem CID 94589837) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.

Molecular Properties

Compound Name1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
PubChem CID94589837
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
SMILESCOc1ccc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)cc1
InChIInChI=1S/C17H21N3O2/c1-13-10-18-19(11-13)12-17(21)20-9-3-4-16(20)14-5-7-15(22-2)8-6-14/h5-8,10-11,16H,3-4,9,12H2,1-2H3/t16-/m1/s1
InChIKeyFVJZVNWICDYZHB-MRXNPFEDSA-N
XLogP2.56
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone
CID 94589847
2-(2-fluorophenyl)-N-[1-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazol-4-yl]acetamide
CID 110248577
2-(4-methoxyphenyl)-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 56825079
2-(4-methoxyphenyl)-1-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95569574
(2S)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131115
(2R)-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]-2-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 95131116
1-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 51075790
N-[[6-[1-[2-(4-methylpyrazol-1-yl)acetyl]pyrrolidin-2-yl]-2-pyridinyl]methyl]acetamide
CID 110107796
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
5-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-5-oxopentanoic acid
CID 60953629
4-(4-methoxyphenyl)-1-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]butan-1-one
CID 95605795
2-(4-methylpyrazol-1-yl)-1-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978464

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The IUPAC name of 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone (CID 94589837) is 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone.
What is the SMILES notation for 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The canonical SMILES for 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is COc1ccc([C@H]2CCCN2C(=O)Cn2cc(C)cn2)cc1.
What is the InChIKey of 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
The InChIKey is FVJZVNWICDYZHB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-13-10-18-19(11-13)12-17(21)20-9-3-4-16(20)14-5-7-15(22-2)8-6-14/h5-8,10-11,16H,3-4,9,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone?
1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone has a molecular weight of 299.37 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-(4-methylpyrazol-1-yl)ethanone is sourced from PubChem (CID 94589837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).