8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

C14H18N4O4 — CID 72900384

IUPAC8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)n[nH]1
InChIInChI=1S/C14H18N4O4/c1-8-6-10(17-16-8)12(20)18-4-2-14(3-5-18)9(13(21)22)7-11(19)15-14/h6,9H,2-5,7H2,1H3,(H,15,19)(H,16,17)(H,21,22)
InChIKeyXFLCBMNMDSENBD-UHFFFAOYSA-N
MW306.32 g/mol
LogP-0.09
Rot. Bonds2

About 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid

8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (PubChem CID 72900384) has the molecular formula C14H18N4O4 and a molecular weight of 306.32 g/mol. Its IUPAC name is 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.

Molecular Properties

Compound Name8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
PubChem CID72900384
Molecular FormulaC14H18N4O4
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
SMILESCc1cc(C(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)n[nH]1
InChIInChI=1S/C14H18N4O4/c1-8-6-10(17-16-8)12(20)18-4-2-14(3-5-18)9(13(21)22)7-11(19)15-14/h6,9H,2-5,7H2,1H3,(H,15,19)(H,16,17)(H,21,22)
InChIKeyXFLCBMNMDSENBD-UHFFFAOYSA-N
XLogP-0.09
TPSA115.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid with MolForge

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Related Compounds

8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72871159
(4R)-8-(2-methoxypyridine-4-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97123973
8-(4-chloro-1-methylpyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72867678
(4-ethylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 53017422
2-(cyclopropanecarbonyl)-8-(5-methyl-1H-pyrazole-3-carbonyl)-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 70714171
8-[(2,5-dimethylphenyl)carbamoyl]-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 72886739
(4-ethylsulfonylpiperazin-1-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 20910824
(4S)-2-oxo-8-[3-(1H-pyrazol-4-yl)propanoyl]-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 97115702
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 56907295
2-[1-(5-methyl-1H-pyrazole-3-carbonyl)azetidin-3-yl]propanoic acid
CID 116681018
[(3S,4R)-3-benzyl-4-hydroxy-4-methylpiperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56905411
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95758908

Frequently Asked Questions

What is the IUPAC name of 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The IUPAC name of 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid (CID 72900384) is 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid.
What is the SMILES notation for 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The canonical SMILES for 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is Cc1cc(C(=O)N2CCC3(CC2)NC(=O)CC3C(=O)O)n[nH]1.
What is the InChIKey of 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
The InChIKey is XFLCBMNMDSENBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O4/c1-8-6-10(17-16-8)12(20)18-4-2-14(3-5-18)9(13(21)22)7-11(19)15-14/h6,9H,2-5,7H2,1H3,(H,15,19)(H,16,17)(H,21,22).
What are the key properties of 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid?
8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid has a molecular weight of 306.32 g/mol, XLogP of -0.09, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-methyl-1H-pyrazole-3-carbonyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid is sourced from PubChem (CID 72900384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).