1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C15H22N4O3 — CID 72923455

IUPAC1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C15H22N4O3/c1-17-9-11(8-16-17)10-19-5-3-15(4-6-19)12(14(21)22)7-13(20)18(15)2/h8-9,12H,3-7,10H2,1-2H3,(H,21,22)
InChIKeyFCYFGTYIVOMOFZ-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.32
Rot. Bonds3

About 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72923455) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72923455
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCN1C(=O)CC(C(=O)O)C12CCN(Cc1cnn(C)c1)CC2
InChIInChI=1S/C15H22N4O3/c1-17-9-11(8-16-17)10-19-5-3-15(4-6-19)12(14(21)22)7-13(20)18(15)2/h8-9,12H,3-7,10H2,1-2H3,(H,21,22)
InChIKeyFCYFGTYIVOMOFZ-UHFFFAOYSA-N
XLogP0.32
TPSA78.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

1-tert-butyl-2-(1-methyl-1H-pyrazol-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379700
(3aS*,7aR*)-5-methyl-2-[(1-methyl-1H-pyrazol-4-yl)carbonyl]octahydro-3aH-pyrrolo[3,4-c]pyridine-3a-carboxylic acid
CID 70776662
8-{[1-(2-hydroxyethyl)-3-methyl-1H-pyrazol-4-yl]methyl}-1-methyl-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72916407
cis-(1S,3R)-3-[[(2S,4S)-4-fluoro-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]methyl-methylcarbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 122066848
1-(2-Methylpropyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;2,2,2-trifluoroacetic acid
CID 155856637
2-Fluoro-2-[1-[3-(4-methylpyrazol-1-yl)propanoyl]pyrrolidin-3-yl]acetic acid
CID 167851622
1-(2-Methylpropyl)-8-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decan-2-one;bis(2,2,2-trifluoroacetic acid)
CID 171686091
Methyl 8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1-propyl-1,8-diazaspiro[4.5]decane-4-carboxylate
CID 45191402
1-[(1-methyl-1H-pyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 19623245
1-[(1-Ethyl-1H-pyrazol-4-YL)methyl]piperidine-3-carboxylic acid
CID 19623249
(3R)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 28843932
(3S)-1-[(1-ethylpyrazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 28843938

Frequently Asked Questions

What is the IUPAC name of 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72923455) is 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is CN1C(=O)CC(C(=O)O)C12CCN(Cc1cnn(C)c1)CC2.
What is the InChIKey of 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is FCYFGTYIVOMOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-17-9-11(8-16-17)10-19-5-3-15(4-6-19)12(14(21)22)7-13(20)18(15)2/h8-9,12H,3-7,10H2,1-2H3,(H,21,22).
What are the key properties of 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 306.37 g/mol, XLogP of 0.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-8-[(1-methylpyrazol-4-yl)methyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72923455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).