[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone

C16H26N4O2 — CID 135104131

IUPAC[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-11(2)4-13-5-15(18-17-13)16(21)20-7-12-6-19(3)8-14(20)10-22-9-12/h5,11-12,14H,4,6-10H2,1-3H3,(H,17,18)/t12-,14-/m0/s1
InChIKeyVFIWNFXFCUSSIG-JSGCOSHPSA-N
MW306.41 g/mol
LogP1.01
Rot. Bonds3

About [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone

[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone (PubChem CID 135104131) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone.

Molecular Properties

Compound Name[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
PubChem CID135104131
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)n[nH]1
InChIInChI=1S/C16H26N4O2/c1-11(2)4-13-5-15(18-17-13)16(21)20-7-12-6-19(3)8-14(20)10-22-9-12/h5,11-12,14H,4,6-10H2,1-3H3,(H,17,18)/t12-,14-/m0/s1
InChIKeyVFIWNFXFCUSSIG-JSGCOSHPSA-N
XLogP1.01
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone with MolForge

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Related Compounds

1-[(1S,5R)-6-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]-3,6-diazabicyclo[3.2.2]nonan-3-yl]ethanone
CID 74240802
[5-(5-fluoro-1H-pyrazole-3-carbonyl)-2,5-diazabicyclo[2.2.2]octan-2-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 166380867
(5-chloro-2-pyridinyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135087234
(2R)-1-[5-(2-methylpropyl)-1H-pyrazole-3-carbonyl]pyrrolidine-2-carboxylic acid
CID 119371130
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-thiophen-2-ylmethanone
CID 135089744
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(3-methyl-2-pyridinyl)methanone
CID 155918315
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[4-(1H-pyrazol-5-yl)phenyl]methanone
CID 135119293
(3-amino-4-phenyl-1H-pyrazol-5-yl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 155492549
(3-chlorophenyl)-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135103883
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-(2-methylsulfanylpyrimidin-5-yl)methanone
CID 155918282
[2-(methylamino)-3-pyridinyl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone
CID 135088216
[1-(4-aminocyclohexyl)triazol-4-yl]-[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]methanone;dihydrochloride
CID 155972199

Frequently Asked Questions

What is the IUPAC name of [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
The IUPAC name of [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone (CID 135104131) is [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone.
What is the SMILES notation for [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
The canonical SMILES for [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone is CC(C)Cc1cc(C(=O)N2C[C@H]3COC[C@@H]2CN(C)C3)n[nH]1.
What is the InChIKey of [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
The InChIKey is VFIWNFXFCUSSIG-JSGCOSHPSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-11(2)4-13-5-15(18-17-13)16(21)20-7-12-6-19(3)8-14(20)10-22-9-12/h5,11-12,14H,4,6-10H2,1-3H3,(H,17,18)/t12-,14-/m0/s1.
What are the key properties of [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone?
[(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone has a molecular weight of 306.41 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,5S)-7-methyl-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone is sourced from PubChem (CID 135104131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).