2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide

C25H34N4O2 — CID 71836989

IUPAC2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)C2CN(C(=O)c3ccccc3)CC23CCCCC3)c1C
InChIInChI=1S/C25H34N4O2/c1-4-29-19(2)21(15-26-29)16-27(3)24(31)22-17-28(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
InChIKeyJADQODLRRVYJCE-UHFFFAOYSA-N
MW422.57 g/mol
LogP3.89
Rot. Bonds5

About 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide

2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide (PubChem CID 71836989) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide.

Molecular Properties

Compound Name2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide
PubChem CID71836989
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide
SMILESCCn1ncc(CN(C)C(=O)C2CN(C(=O)c3ccccc3)CC23CCCCC3)c1C
InChIInChI=1S/C25H34N4O2/c1-4-29-19(2)21(15-26-29)16-27(3)24(31)22-17-28(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
InChIKeyJADQODLRRVYJCE-UHFFFAOYSA-N
XLogP3.89
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 ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2471334
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(1,3-Diphenylpyrazol-4-yl)-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone
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1-{[3-(2-fluorophenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-4-(pyrrolidin-1-ylcarbonyl)piperidine
CID 16189902
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CID 16191911
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CID 44442965
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CID 6468689
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CID 16023899
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Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide?
The IUPAC name of 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide (CID 71836989) is 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide.
What is the SMILES notation for 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide?
The canonical SMILES for 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide is CCn1ncc(CN(C)C(=O)C2CN(C(=O)c3ccccc3)CC23CCCCC3)c1C.
What is the InChIKey of 2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide?
The InChIKey is JADQODLRRVYJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-4-29-19(2)21(15-26-29)16-27(3)24(31)22-17-28(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-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide?
2-benzoyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 3.89, 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-ethyl-5-methylpyrazol-4-yl)methyl]-N-methyl-2-azaspiro[4.5]decane-4-carboxamide is sourced from PubChem (CID 71836989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).