1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone

C17H23N3O3 — CID 74415705

IUPAC1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCC2CC(C(=O)N3CCCC3)NN2)c1
InChIInChI=1S/C17H23N3O3/c1-12(21)13-5-4-6-15(9-13)23-11-14-10-16(19-18-14)17(22)20-7-2-3-8-20/h4-6,9,14,16,18-19H,2-3,7-8,10-11H2,1H3
InChIKeyANLROPINTQUIMA-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.13
Rot. Bonds5

About 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone

1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone (PubChem CID 74415705) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone
PubChem CID74415705
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone
SMILESCC(=O)c1cccc(OCC2CC(C(=O)N3CCCC3)NN2)c1
InChIInChI=1S/C17H23N3O3/c1-12(21)13-5-4-6-15(9-13)23-11-14-10-16(19-18-14)17(22)20-7-2-3-8-20/h4-6,9,14,16,18-19H,2-3,7-8,10-11H2,1H3
InChIKeyANLROPINTQUIMA-UHFFFAOYSA-N
XLogP1.13
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(3-acetylphenoxy)methyl]-N-(furan-2-ylmethyl)-N-methylpyrazolidine-3-carboxamide
CID 74500448
5-[(3-acetylphenoxy)methyl]-N-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
CID 74790623
5-[(3-acetylphenoxy)methyl]pyrrolidin-2-one
CID 117051927
[5-[(3-fluorophenoxy)methyl]pyrazolidin-3-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 75099692
1-[3-[2-(1-methylpyrrolidin-2-yl)ethoxy]phenyl]ethanone
CID 79168162
2-(3-acetylphenoxy)-1-(1,4-diazepan-1-yl)ethanone
CID 119417714
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
[3-(cyclopentylmethoxy)phenyl]-piperidin-1-ylmethanone
CID 126671401
2-(3-acetylphenoxy)-1-cyclohexylethanone
CID 115582273
[3-[(1-cyclobutylaziridin-2-yl)methoxy]phenyl]-pyrrolidin-1-ylmethanone
CID 154880038
2-(3-acetylphenoxy)-1-(4-aminopiperidin-1-yl)ethanone
CID 119376034
1-[3-(chloromethoxy)phenyl]ethanone
CID 79531382

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone (CID 74415705) is 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone is CC(=O)c1cccc(OCC2CC(C(=O)N3CCCC3)NN2)c1.
What is the InChIKey of 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone?
The InChIKey is ANLROPINTQUIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(21)13-5-4-6-15(9-13)23-11-14-10-16(19-18-14)17(22)20-7-2-3-8-20/h4-6,9,14,16,18-19H,2-3,7-8,10-11H2,1H3.
What are the key properties of 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone?
1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone has a molecular weight of 317.39 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-(pyrrolidine-1-carbonyl)pyrazolidin-3-yl]methoxy]phenyl]ethanone is sourced from PubChem (CID 74415705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).