4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

C16H22BrN5O3 — CID 56564644

IUPAC4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)c1n[nH]c(C(C)C)c1Br)C2=O
InChIInChI=1S/C16H22BrN5O3/c1-8(2)11-10(17)12(20-19-11)13(23)21-22-14(24)16(18-15(22)25)6-4-9(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,18,25)(H,19,20)(H,21,23)
InChIKeyZZUAKYIISYDXKN-UHFFFAOYSA-N
MW412.29 g/mol
LogP2.44
Rot. Bonds3

About 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide

4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (PubChem CID 56564644) has the molecular formula C16H22BrN5O3 and a molecular weight of 412.29 g/mol. Its IUPAC name is 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
PubChem CID56564644
Molecular FormulaC16H22BrN5O3
Molecular Weight412.29 g/mol
Exact Mass411.09
IUPAC Name4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide
SMILESCC1CCC2(CC1)NC(=O)N(NC(=O)c1n[nH]c(C(C)C)c1Br)C2=O
InChIInChI=1S/C16H22BrN5O3/c1-8(2)11-10(17)12(20-19-11)13(23)21-22-14(24)16(18-15(22)25)6-4-9(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,18,25)(H,19,20)(H,21,23)
InChIKeyZZUAKYIISYDXKN-UHFFFAOYSA-N
XLogP2.44
TPSA107.19 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.29
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 46452899
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)naphthalene-2-carboxamide
CID 9324450
6-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-2-carboxamide
CID 32645806
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-phenylsulfanylpropanamide
CID 40810140
4-acetyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1H-pyrrole-2-carboxamide
CID 24545818
6-methoxy-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)pyridine-3-carboxamide
CID 24545842
4-bromo-5-propan-2-yl-N-pyrrolidin-3-yl-1H-pyrazole-3-carboxamide
CID 119452554
5-bromo-3-methyl-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-1-benzofuran-2-carboxamide
CID 16573952
(2S)-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(4-methylphenoxy)propanamide
CID 27802506
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-4-(5-methylpyrazol-1-yl)benzamide
CID 31202428
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-(2-methyl-5-propan-2-ylphenoxy)acetamide
CID 27802433
N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(5-propan-2-yloxy-1,3,4-thiadiazol-2-yl)sulfanyl]acetamide
CID 55989815

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The IUPAC name of 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide (CID 56564644) is 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is CC1CCC2(CC1)NC(=O)N(NC(=O)c1n[nH]c(C(C)C)c1Br)C2=O.
What is the InChIKey of 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
The InChIKey is ZZUAKYIISYDXKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN5O3/c1-8(2)11-10(17)12(20-19-11)13(23)21-22-14(24)16(18-15(22)25)6-4-9(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,18,25)(H,19,20)(H,21,23).
What are the key properties of 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide?
4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide has a molecular weight of 412.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(8-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-5-propan-2-yl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 56564644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).