9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H24N4O3 — CID 162638587

IUPAC9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2)n1
InChIInChI=1S/C20H24N4O3/c1-14-11-15(2)24(22-14)17-5-3-16(4-6-17)19(26)23-9-7-20(8-10-23)13-21-18(25)12-27-20/h3-6,11H,7-10,12-13H2,1-2H3,(H,21,25)
InChIKeyOWNPHWKPXIWPEW-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.61
Rot. Bonds2

About 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 162638587) has the molecular formula C20H24N4O3 and a molecular weight of 368.44 g/mol. Its IUPAC name is 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID162638587
Molecular FormulaC20H24N4O3
Molecular Weight368.44 g/mol
Exact Mass368.18
IUPAC Name9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2)n1
InChIInChI=1S/C20H24N4O3/c1-14-11-15(2)24(22-14)17-5-3-16(4-6-17)19(26)23-9-7-20(8-10-23)13-21-18(25)12-27-20/h3-6,11H,7-10,12-13H2,1-2H3,(H,21,25)
InChIKeyOWNPHWKPXIWPEW-UHFFFAOYSA-N
XLogP1.61
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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Related Compounds

9-(pyridine-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one;2,2,2-trifluoroacetic acid
CID 155838295
9-[4-(difluoromethoxy)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162631631
(4-aminopiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 119376722
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120804316
(2R)-6-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-N-(2-pyridin-2-ylethyl)-6-azaspiro[2.5]octane-2-carboxamide
CID 42485071
10-[3-(3,5-dimethylpyrazol-1-yl)benzoyl]-4-phenyl-1-oxa-4,10-diazaspiro[5.6]dodecan-3-one
CID 110151048
9-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162629408
9-(1-oxo-2,3-dihydroindene-4-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162630313
9-(5-methoxypyrimidine-2-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 131686408
9-[3-(2-methyl-6-oxo-1-pyridinyl)propanoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162631980
(4-amino-3,3-dimethylpiperidin-1-yl)-[4-(3,5-dimethylpyrazol-1-yl)phenyl]methanone;hydrochloride
CID 120814562
9-(5-methoxy-1-methyl-1,2,4-triazole-3-carbonyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 162634902

Frequently Asked Questions

What is the IUPAC name of 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 162638587) is 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is Cc1cc(C)n(-c2ccc(C(=O)N3CCC4(CC3)CNC(=O)CO4)cc2)n1.
What is the InChIKey of 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is OWNPHWKPXIWPEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O3/c1-14-11-15(2)24(22-14)17-5-3-16(4-6-17)19(26)23-9-7-20(8-10-23)13-21-18(25)12-27-20/h3-6,11H,7-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.44 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-(3,5-dimethylpyrazol-1-yl)benzoyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 162638587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).