7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

C16H16N4O4 — CID 70719104

IUPAC7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1ccc(-c2cc(C(=O)N3CCC4(CC(=O)NC4=O)C3)n[nH]2)o1
InChIInChI=1S/C16H16N4O4/c1-9-2-3-12(24-9)10-6-11(19-18-10)14(22)20-5-4-16(8-20)7-13(21)17-15(16)23/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)(H,17,21,23)
InChIKeyDSUAZJSQAUTRDT-UHFFFAOYSA-N
MW328.33 g/mol
LogP0.86
Rot. Bonds2

About 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione

7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (PubChem CID 70719104) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
PubChem CID70719104
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC Name7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione
SMILESCc1ccc(-c2cc(C(=O)N3CCC4(CC(=O)NC4=O)C3)n[nH]2)o1
InChIInChI=1S/C16H16N4O4/c1-9-2-3-12(24-9)10-6-11(19-18-10)14(22)20-5-4-16(8-20)7-13(21)17-15(16)23/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)(H,17,21,23)
InChIKeyDSUAZJSQAUTRDT-UHFFFAOYSA-N
XLogP0.86
TPSA108.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2-(2-morpholin-4-ylethyl)-2,7-diazaspiro[4.4]nonan-1-one
CID 175643514
[4-(methylamino)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119563954
[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]-spiro[indene-1,4'-piperidine]-1'-ylmethanone
CID 70782218
3,9-diazabicyclo[4.2.1]nonan-3-yl-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119639342
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 119520867
[(3aS,6aS)-3a-(hydroxymethyl)-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone
CID 70742379
[4-(1-aminoethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119520866
(1S,6R)-9-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-3,9-diazabicyclo[4.2.1]nonan-4-one
CID 50984778
[4-(ethylaminomethyl)piperidin-1-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 119648286
4-(cyclopropylmethyl)-1-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-3-propan-2-yl-1,4-diazepan-5-one
CID 56916033
[4-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]piperazin-1-yl]-(oxolan-2-yl)methanone
CID 70757637
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 154896707

Frequently Asked Questions

What is the IUPAC name of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione (CID 70719104) is 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is Cc1ccc(-c2cc(C(=O)N3CCC4(CC(=O)NC4=O)C3)n[nH]2)o1.
What is the InChIKey of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
The InChIKey is DSUAZJSQAUTRDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-9-2-3-12(24-9)10-6-11(19-18-10)14(22)20-5-4-16(8-20)7-13(21)17-15(16)23/h2-3,6H,4-5,7-8H2,1H3,(H,18,19)(H,17,21,23).
What are the key properties of 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione?
7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione has a molecular weight of 328.33 g/mol, XLogP of 0.86, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[5-(5-methylfuran-2-yl)-1H-pyrazole-3-carbonyl]-2,7-diazaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 70719104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).