[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C15H24N4O — CID 133132707

IUPAC[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cn1
InChIInChI=1S/C15H24N4O/c1-11(2)19-9-13(6-16-19)15(20)18-8-12-4-5-14(18)10-17(3)7-12/h6,9,11-12,14H,4-5,7-8,10H2,1-3H3/t12-,14+/m1/s1
InChIKeyNUCFMJSLQPFAHR-OCCSQVGLSA-N
MW276.38 g/mol
LogP1.63
Rot. Bonds2

About [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 133132707) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID133132707
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCC(C)n1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cn1
InChIInChI=1S/C15H24N4O/c1-11(2)19-9-13(6-16-19)15(20)18-8-12-4-5-14(18)10-17(3)7-12/h6,9,11-12,14H,4-5,7-8,10H2,1-3H3/t12-,14+/m1/s1
InChIKeyNUCFMJSLQPFAHR-OCCSQVGLSA-N
XLogP1.63
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone with MolForge

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Related Compounds

1-[(1-Propan-2-ylpiperidin-4-yl)methyl]pyrazole-4-carboxamide
CID 95817242
1-[[1-(1-Methylpyrazole-4-carbonyl)piperidin-3-yl]methyl]pyrrolidin-2-one
CID 110258819
N,N-dimethyl-2-{(1S*,5R*)-6-[3-(4-methyl-1H-pyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]non-3-yl}acetamide
CID 133121321
(1R*,5R*)-3-(cyclobutylcarbonyl)-6-[(1-ethyl-1H-pyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 133138474
N-[(1S)-1-cyclopropylethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 40143640
(4aS*,7aS*)-6-[(1-isopropyl-1H-pyrazol-4-yl)carbonyl]octahydro-1H-pyrrolo[3,4-b]pyridine
CID 70715204
(1-Cyclohexylpyrazol-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927914
cyclobutyl-[(1R,5R)-6-[(1-ethylpyrazol-4-yl)methyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]methanone
CID 72868154
N,N-dimethyl-2-[(1S,5R)-6-[3-(4-methylpyrazol-1-yl)propanoyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]acetamide
CID 72916773
2-Azabicyclo[2.2.1]heptan-2-yl-[1-(2-piperidin-1-ylethyl)pyrazol-4-yl]methanone
CID 84584079
(4,4-Diethylazepan-1-yl)-(1-methylpyrazol-4-yl)methanone
CID 91651492
(1S*,5R*)-6-[(1-ethyl-3-methyl-1H-pyrazol-4-yl)carbonyl]-3-methyl-3,6-diazabicyclo[3.2.2]nonane
CID 133110485

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 133132707) is [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is CC(C)n1cc(C(=O)N2C[C@@H]3CC[C@H]2CN(C)C3)cn1.
What is the InChIKey of [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is NUCFMJSLQPFAHR-OCCSQVGLSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)19-9-13(6-16-19)15(20)18-8-12-4-5-14(18)10-17(3)7-12/h6,9,11-12,14H,4-5,7-8,10H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 276.38 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-3-methyl-3,6-diazabicyclo[3.2.2]nonan-6-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 133132707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).