8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H21N5O3 — CID 56814694

IUPAC8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)n1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1
InChIInChI=1S/C15H21N5O3/c1-14(2,3)20-9-10(8-16-20)11(21)19-6-4-15(5-7-19)12(22)17-13(23)18-15/h8-9H,4-7H2,1-3H3,(H2,17,18,22,23)
InChIKeyCZLMQNOOLPHYGO-UHFFFAOYSA-N
MW319.37 g/mol
LogP0.45
Rot. Bonds1

About 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 56814694) has the molecular formula C15H21N5O3 and a molecular weight of 319.37 g/mol. Its IUPAC name is 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID56814694
Molecular FormulaC15H21N5O3
Molecular Weight319.37 g/mol
Exact Mass319.16
IUPAC Name8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)(C)n1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1
InChIInChI=1S/C15H21N5O3/c1-14(2,3)20-9-10(8-16-20)11(21)19-6-4-15(5-7-19)12(22)17-13(23)18-15/h8-9H,4-7H2,1-3H3,(H2,17,18,22,23)
InChIKeyCZLMQNOOLPHYGO-UHFFFAOYSA-N
XLogP0.45
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[(1-methylpyrazole-4-carbonyl)amino]piperidine-1-carboxamide
CID 45831942
N-cyclopropyl-4-[[(1-methylpyrazole-4-carbonyl)amino]methyl]piperidine-1-carboxamide
CID 53549213
N-methyl-4-[1-(1-methylpyrazole-4-carbonyl)pyrrolidin-3-yl]piperidine-1-carboxamide
CID 91921372
4-{1-[(1-ethyl-1H-pyrazol-4-yl)carbonyl]tetrahydro-1H-pyrrol-3-yl}-N-methyltetrahydro-1(2H)-pyridinecarboxamide
CID 91921477
5-Methyl-5-[1-[2-(1-methylpyrazol-4-yl)ethyl]piperidin-3-yl]-3-propan-2-ylimidazolidine-2,4-dione
CID 71871843
N-(6-amino-2,4-dioxo-3-propyl-1H-pyrimidin-5-yl)-1-[[1-(2,4-difluorocyclohexyl)-5-oxopyrrolidin-3-yl]methyl]pyrazole-4-carboxamide
CID 144051751
N-(2,6-dioxopiperidin-3-yl)-1-methyl-1H-pyrazole-4-carboxamide
CID 65955912
N-(2,6-dioxopiperidin-3-yl)-N,1-dimethyl-1H-pyrazole-4-carboxamide
CID 138467248
N-[[1-(4,4-difluoropyrrolidine-2-carbonyl)piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 120349340
(2S,4R)-1-(1-tert-butylpyrazole-4-carbonyl)-4-fluoropyrrolidine-2-carboxamide
CID 120965406
9-[[1-(2-Fluoroethyl)pyrazol-4-yl]methyl]-1,3,9-triazaspiro[4.5]decane-2,4-dione
CID 146138702
2-(4-methyl-1H-pyrazol-1-yl)-N-[1-(pyrrolidin-1-ylcarbonyl)piperidin-4-yl]propanamide
CID 118782029

Frequently Asked Questions

What is the IUPAC name of 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 56814694) is 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)(C)n1cc(C(=O)N2CCC3(CC2)NC(=O)NC3=O)cn1.
What is the InChIKey of 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CZLMQNOOLPHYGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3/c1-14(2,3)20-9-10(8-16-20)11(21)19-6-4-15(5-7-19)12(22)17-13(23)18-15/h8-9H,4-7H2,1-3H3,(H2,17,18,22,23).
What are the key properties of 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 319.37 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-tert-butylpyrazole-4-carbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 56814694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).