[(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone

C18H25N3O2 — CID 138024962

IUPAC[(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone
SMILESC[C@]12CN(C(=O)c3cn[nH]c3C3CCCO3)C[C@H]1[C@H]1CC[C@@H]2C1
InChIInChI=1S/C18H25N3O2/c1-18-10-21(9-14(18)11-4-5-12(18)7-11)17(22)13-8-19-20-16(13)15-3-2-6-23-15/h8,11-12,14-15H,2-7,9-10H2,1H3,(H,19,20)/t11-,12+,14-,15?,18+/m0/s1
InChIKeyBLXMRXSAPDPKDS-HLJYAXNPSA-N
MW315.42 g/mol
LogP2.77
Rot. Bonds2

About [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone

[(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone (PubChem CID 138024962) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone.

Molecular Properties

Compound Name[(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone
PubChem CID138024962
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name[(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone
SMILESC[C@]12CN(C(=O)c3cn[nH]c3C3CCCO3)C[C@H]1[C@H]1CC[C@@H]2C1
InChIInChI=1S/C18H25N3O2/c1-18-10-21(9-14(18)11-4-5-12(18)7-11)17(22)13-8-19-20-16(13)15-3-2-6-23-15/h8,11-12,14-15H,2-7,9-10H2,1H3,(H,19,20)/t11-,12+,14-,15?,18+/m0/s1
InChIKeyBLXMRXSAPDPKDS-HLJYAXNPSA-N
XLogP2.77
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone with MolForge

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Related Compounds

[(4aS,8aR)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl]-[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129333550
5-(oxolan-2-yl)-1H-pyrazol-4-amine
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CID 105433766
4-bromo-5-(oxan-2-yl)-1H-pyrazole
CID 68654841
[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-oxolan-3-yl]-1H-pyrazol-4-yl]methanone
CID 129478229
[(2R,6R)-2,6-dimethylmorpholin-4-yl]-[5-[(3R)-1-pyrrolidin-1-ylsulfonylpyrrolidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 126417127
(5-cyclohexyl-1H-pyrazol-4-yl)-[(5S)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
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cyclohexyl-[4-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584391
cyclohexyl-[4-[4-[(2R,6R)-2,6-dimethylmorpholine-4-carbonyl]-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 92584390
morpholin-4-yl-[5-[(3R)-piperidin-3-yl]-1H-pyrazol-4-yl]methanone
CID 98041423
[5-[(3S)-oxolan-3-yl]-1H-pyrazol-4-yl]-[(3S)-3-pyrrolidin-1-ylpyrrolidin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone?
The IUPAC name of [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone (CID 138024962) is [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone.
What is the SMILES notation for [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone?
The canonical SMILES for [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone is C[C@]12CN(C(=O)c3cn[nH]c3C3CCCO3)C[C@H]1[C@H]1CC[C@@H]2C1.
What is the InChIKey of [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone?
The InChIKey is BLXMRXSAPDPKDS-HLJYAXNPSA-N. The full InChI is InChI=1S/C18H25N3O2/c1-18-10-21(9-14(18)11-4-5-12(18)7-11)17(22)13-8-19-20-16(13)15-3-2-6-23-15/h8,11-12,14-15H,2-7,9-10H2,1H3,(H,19,20)/t11-,12+,14-,15?,18+/m0/s1.
What are the key properties of [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone?
[(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone has a molecular weight of 315.42 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,6S,7S)-2-methyl-4-azatricyclo[5.2.1.02,6]decan-4-yl]-[5-(oxolan-2-yl)-1H-pyrazol-4-yl]methanone is sourced from PubChem (CID 138024962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).