2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

C19H23N3O2 — CID 95343979

IUPAC2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H23N3O2/c23-19(14-24-18-8-7-15-4-1-5-16(15)12-18)22-11-2-6-17(22)13-21-10-3-9-20-21/h3,7-10,12,17H,1-2,4-6,11,13-14H2/t17-/m0/s1
InChIKeySYNQVJKSONPLOR-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.44
Rot. Bonds5

About 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone

2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (PubChem CID 95343979) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
PubChem CID95343979
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
SMILESO=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1Cn1cccn1
InChIInChI=1S/C19H23N3O2/c23-19(14-24-18-8-7-15-4-1-5-16(15)12-18)22-11-2-6-17(22)13-21-10-3-9-20-21/h3,7-10,12,17H,1-2,4-6,11,13-14H2/t17-/m0/s1
InChIKeySYNQVJKSONPLOR-KRWDZBQOSA-N
XLogP2.44
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,3-dihydro-1H-inden-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603521
4-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethoxy]benzamide
CID 56779308
2,3-dihydro-1H-inden-5-yl-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 95323101
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
N-cyclopropyl-1-[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]pyrrolidine-2-carboxamide
CID 86924391
1-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-2-pyridin-3-yloxyethanone
CID 95553144
2-(5-methoxyindol-1-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95323554
2-(2,3-dihydro-1H-inden-5-yloxy)-1-(3-hydroxypiperidin-1-yl)ethanone
CID 43390762
3-[methyl(propyl)amino]-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95607640
N-(4-butoxyphenyl)-2-(pyrazol-1-ylmethyl)pyrrolidine-1-carboxamide
CID 118793180
3-(1,3-benzodioxol-5-yl)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]propan-1-one
CID 95323061

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone (CID 95343979) is 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1Cn1cccn1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is SYNQVJKSONPLOR-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-19(14-24-18-8-7-15-4-1-5-16(15)12-18)22-11-2-6-17(22)13-21-10-3-9-20-21/h3,7-10,12,17H,1-2,4-6,11,13-14H2/t17-/m0/s1.
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone?
2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 325.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yloxy)-1-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 95343979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).