2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide

C25H34N4O2 — CID 86771597

IUPAC2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCN(Cc1cn(C)nc1C)C(=O)C1CN(C(=O)c2ccccc2)CC12CCCCC2
InChIInChI=1S/C25H34N4O2/c1-4-28(16-21-15-27(3)26-19(21)2)24(31)22-17-29(18-25(22)13-9-6-10-14-25)23(30)20-11-7-5-8-12-20/h5,7-8,11-12,15,22H,4,6,9-10,13-14,16-18H2,1-3H3
InChIKeyMYZQLIOTNCDODB-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.80
Rot. Bonds5

About 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide

2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 86771597) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID86771597
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCN(Cc1cn(C)nc1C)C(=O)C1CN(C(=O)c2ccccc2)CC12CCCCC2
InChIInChI=1S/C25H34N4O2/c1-4-28(16-21-15-27(3)26-19(21)2)24(31)22-17-29(18-25(22)13-9-6-10-14-25)23(30)20-11-7-5-8-12-20/h5,7-8,11-12,15,22H,4,6,9-10,13-14,16-18H2,1-3H3
InChIKeyMYZQLIOTNCDODB-UHFFFAOYSA-N
XLogP3.80
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide with MolForge

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Related Compounds

[1-(2-cyanoethyl)-3-(4-fluorophenyl)pyrazol-4-yl]-N,N-diethylcarboxamide
CID 2471334
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CID 45267632
1-(4-Fluorophenyl)-2-[4-(1-methyl-1H-pyrazole-3-carbonyl)-piperazin-1-yl]ethanone
CID 24811854
N-methyl-N-[(3R)-1-propan-2-ylpyrrolidin-3-yl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56668800
(1,3-Diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 8107007
4-biphenylyl{1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}methanone
CID 16187239
1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
N-({1-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperidin-3-yl}methyl)-4-fluorobenzamide
CID 16191911
[1-(4-Methylphenyl)-3-phenylpyrazol-4-yl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
CID 16311133
1-(4-fluorophenyl)-3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide
CID 25163585
(4-(1-(((1,5-dimethyl-1H-pyrazol-4-yl)methylamino)methyl)cyclohexyl)piperazin-1-yl)((3R,4S)-1-isopropyl-4-phenylpyrrolidin-3-yl)methanone
CID 44442965
(4-benzylpiperidin-1-yl)(1-methyl-1H-pyrazol-5-yl)methanone
CID 6468689

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide (CID 86771597) is 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide is CCN(Cc1cn(C)nc1C)C(=O)C1CN(C(=O)c2ccccc2)CC12CCCCC2.
What is the InChIKey of 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is MYZQLIOTNCDODB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-4-28(16-21-15-27(3)26-19(21)2)24(31)22-17-29(18-25(22)13-9-6-10-14-25)23(30)20-11-7-5-8-12-20/h5,7-8,11-12,15,22H,4,6,9-10,13-14,16-18H2,1-3H3.
What are the key properties of 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide?
2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.80, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 86771597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).