9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

C19H30N4O3 — CID 72866706

IUPAC9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1cc(C(=O)N2CCC3(CCC(=O)N(CCCOC)C3)CC2)n[nH]1
InChIInChI=1S/C19H30N4O3/c1-3-15-13-16(21-20-15)18(25)22-10-7-19(8-11-22)6-5-17(24)23(14-19)9-4-12-26-2/h13H,3-12,14H2,1-2H3,(H,20,21)
InChIKeyMEVHMPASYVXGON-UHFFFAOYSA-N
MW362.47 g/mol
LogP1.85
Rot. Bonds6

About 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one

9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (PubChem CID 72866706) has the molecular formula C19H30N4O3 and a molecular weight of 362.47 g/mol. Its IUPAC name is 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
PubChem CID72866706
Molecular FormulaC19H30N4O3
Molecular Weight362.47 g/mol
Exact Mass362.23
IUPAC Name9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
SMILESCCc1cc(C(=O)N2CCC3(CCC(=O)N(CCCOC)C3)CC2)n[nH]1
InChIInChI=1S/C19H30N4O3/c1-3-15-13-16(21-20-15)18(25)22-10-7-19(8-11-22)6-5-17(24)23(14-19)9-4-12-26-2/h13H,3-12,14H2,1-2H3,(H,20,21)
InChIKeyMEVHMPASYVXGON-UHFFFAOYSA-N
XLogP1.85
TPSA78.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-hydroxyethyl)-9-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72884759
8-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746303
9-(3-hydroxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72905387
9-(3-hydroxy-4-methoxybenzoyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72922064
9-[3-(4,5-dimethyl-1H-pyrazol-3-yl)propanoyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72932656
2-(3-methoxypropyl)-9-(2-phenylacetyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72926962
2-(3-methoxypropyl)-8-(6-oxo-1H-pyrazine-3-carbonyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70754929
2-(2-methoxyethyl)-9-(2,4,6-trimethylbenzoyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72876264
2-(3-methoxypropyl)-9-[2-(4-methylphenyl)acetyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 72904809
9-[2-(2,5-dimethylphenyl)acetyl]-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 72882721
1-[2-[2-(3-methoxypropyl)-3-oxo-2,9-diazaspiro[5.5]undecan-9-yl]-2-oxoethyl]pyrimidine-2,4-dione
CID 72921293
2-(2-methoxyethyl)-9-(1-methylimidazole-2-carbonyl)-2,9-diazaspiro[5.5]undecan-3-one
CID 124814570

Frequently Asked Questions

What is the IUPAC name of 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one (CID 72866706) is 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is CCc1cc(C(=O)N2CCC3(CCC(=O)N(CCCOC)C3)CC2)n[nH]1.
What is the InChIKey of 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is MEVHMPASYVXGON-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3/c1-3-15-13-16(21-20-15)18(25)22-10-7-19(8-11-22)6-5-17(24)23(14-19)9-4-12-26-2/h13H,3-12,14H2,1-2H3,(H,20,21).
What are the key properties of 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one?
9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 362.47 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-ethyl-1H-pyrazole-3-carbonyl)-2-(3-methoxypropyl)-2,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 72866706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).