3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

C17H23N5O3 — CID 56779158

IUPAC3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C17H23N5O3/c23-14(21-10-3-5-13(21)11-20-9-4-8-18-20)12-22-15(24)17(19-16(22)25)6-1-2-7-17/h4,8-9,13H,1-3,5-7,10-12H2,(H,19,25)
InChIKeySFGVMSDDDRHMJT-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.74
Rot. Bonds4

About 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione

3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (PubChem CID 56779158) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.

Molecular Properties

Compound Name3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
PubChem CID56779158
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione
SMILESO=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C17H23N5O3/c23-14(21-10-3-5-13(21)11-20-9-4-8-18-20)12-22-15(24)17(19-16(22)25)6-1-2-7-17/h4,8-9,13H,1-3,5-7,10-12H2,(H,19,25)
InChIKeySFGVMSDDDRHMJT-UHFFFAOYSA-N
XLogP0.74
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 119650021
3-[2-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119649134
2-methylsulfanyl-1-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 56779161
2-ethylsulfonyl-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95603863
1-[2-(hydroxymethyl)pyrrolidin-1-yl]-2-pyrazol-1-ylethanone
CID 61410629
3-[2-oxo-2-[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethyl]-1,3-thiazolidin-4-one
CID 95347001
8-tert-butyl-3-[2-(2-ethylpiperidin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 51138966
cyclobutyl-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
CID 73440121
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-[(2R)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]ethanone
CID 95348225
3-[2-[2-(aminomethyl)pyrrolidin-1-yl]-2-oxoethyl]-8-(2-methylbutan-2-yl)-1,3-diazaspiro[4.5]decane-2,4-dione;hydrochloride
CID 119632085
2-(4-bromophenyl)-1-[(2R)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95325536

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The IUPAC name of 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione (CID 56779158) is 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione.
What is the SMILES notation for 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The canonical SMILES for 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is O=C1NC2(CCCC2)C(=O)N1CC(=O)N1CCCC1Cn1cccn1.
What is the InChIKey of 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
The InChIKey is SFGVMSDDDRHMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c23-14(21-10-3-5-13(21)11-20-9-4-8-18-20)12-22-15(24)17(19-16(22)25)6-1-2-7-17/h4,8-9,13H,1-3,5-7,10-12H2,(H,19,25).
What are the key properties of 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione?
3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione has a molecular weight of 345.40 g/mol, XLogP of 0.74, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethyl]-1,3-diazaspiro[4.4]nonane-2,4-dione is sourced from PubChem (CID 56779158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).