3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

C14H20N4O3 — CID 56907295

IUPAC3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1cc(C(=O)N2CCCC3(CC2)CN(C)C(=O)O3)n[nH]1
InChIInChI=1S/C14H20N4O3/c1-10-8-11(16-15-10)12(19)18-6-3-4-14(5-7-18)9-17(2)13(20)21-14/h8H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyAANCALWIGCKDRW-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.17
Rot. Bonds1

About 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one

3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (PubChem CID 56907295) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.

Molecular Properties

Compound Name3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
PubChem CID56907295
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
SMILESCc1cc(C(=O)N2CCCC3(CC2)CN(C)C(=O)O3)n[nH]1
InChIInChI=1S/C14H20N4O3/c1-10-8-11(16-15-10)12(19)18-6-3-4-14(5-7-18)9-17(2)13(20)21-14/h8H,3-7,9H2,1-2H3,(H,15,16)
InChIKeyAANCALWIGCKDRW-UHFFFAOYSA-N
XLogP1.17
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5R)-3-methyl-9-[5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95725668
3-methyl-9-(5-methyl-1H-imidazole-4-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56919336
(2-methyl-2,7-diazaspiro[4.5]decan-7-yl)-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56759251
[(5R)-2-methyl-2,7-diazaspiro[4.5]decan-7-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 95229385
N-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.5]decane-9-carboxamide
CID 121498352
acetic acid;3-methyl-9-(4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 171707070
9-(4,6-dimethylpyridine-3-carbonyl)-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56907002
6-methyl-5-[2-(3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecan-9-yl)-2-oxoethyl]-1H-pyrimidine-2,4-dione
CID 77094615
(5R)-3-methyl-9-(2-methyl-4-oxo-1,5,6,7-tetrahydroindole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95707112
3-fluoro-5-[(5S)-3-methyl-2-oxo-1-oxa-3,9-diazaspiro[4.6]undecane-9-carbonyl]benzonitrile
CID 95713207
(5R)-3-methyl-9-[1-(4-methylphenyl)cyclopropanecarbonyl]-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95722297
(5S)-3-methyl-9-(4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one
CID 95724435

Frequently Asked Questions

What is the IUPAC name of 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The IUPAC name of 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one (CID 56907295) is 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one.
What is the SMILES notation for 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The canonical SMILES for 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is Cc1cc(C(=O)N2CCCC3(CC2)CN(C)C(=O)O3)n[nH]1.
What is the InChIKey of 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
The InChIKey is AANCALWIGCKDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-10-8-11(16-15-10)12(19)18-6-3-4-14(5-7-18)9-17(2)13(20)21-14/h8H,3-7,9H2,1-2H3,(H,15,16).
What are the key properties of 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one?
3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one has a molecular weight of 292.34 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-9-(5-methyl-1H-pyrazole-3-carbonyl)-1-oxa-3,9-diazaspiro[4.6]undecan-2-one is sourced from PubChem (CID 56907295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).