[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone

C17H25N3O — CID 167762565

IUPAC[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C17H25N3O/c21-17(20-11-13-8-4-5-9-16(13)20)15-10-14(18-19-15)12-6-2-1-3-7-12/h10,12-13,16H,1-9,11H2,(H,18,19)/t13-,16-/m0/s1
InChIKeyUAZOUBJFBPCJKT-BBRMVZONSA-N
MW287.41 g/mol
LogP3.47
Rot. Bonds2

About [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone

[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone (PubChem CID 167762565) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone
PubChem CID167762565
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone
SMILESO=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2CCCC[C@@H]21
InChIInChI=1S/C17H25N3O/c21-17(20-11-13-8-4-5-9-16(13)20)15-10-14(18-19-15)12-6-2-1-3-7-12/h10,12-13,16H,1-9,11H2,(H,18,19)/t13-,16-/m0/s1
InChIKeyUAZOUBJFBPCJKT-BBRMVZONSA-N
XLogP3.47
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone (CID 167762565) is [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone is O=C(c1cc(C2CCCCC2)[nH]n1)N1C[C@@H]2CCCC[C@@H]21.
What is the InChIKey of [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone?
The InChIKey is UAZOUBJFBPCJKT-BBRMVZONSA-N. The full InChI is InChI=1S/C17H25N3O/c21-17(20-11-13-8-4-5-9-16(13)20)15-10-14(18-19-15)12-6-2-1-3-7-12/h10,12-13,16H,1-9,11H2,(H,18,19)/t13-,16-/m0/s1.
What are the key properties of [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone?
[(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone has a molecular weight of 287.41 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,6S)-7-azabicyclo[4.2.0]octan-7-yl]-(5-cyclohexyl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 167762565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).