[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone

C16H18N4O — CID 138011938

IUPAC[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)c1ccc(-c3cn[nH]c3)cc1)C2
InChIInChI=1S/C16H18N4O/c17-16-6-5-14(16)9-20(10-16)15(21)12-3-1-11(2-4-12)13-7-18-19-8-13/h1-4,7-8,14H,5-6,9-10,17H2,(H,18,19)/t14-,16-/m0/s1
InChIKeyLSLDRPGMLLUPFW-HOCLYGCPSA-N
MW282.35 g/mol
LogP1.64
Rot. Bonds2

About [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone

[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone (PubChem CID 138011938) has the molecular formula C16H18N4O and a molecular weight of 282.35 g/mol. Its IUPAC name is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone.

Molecular Properties

Compound Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
PubChem CID138011938
Molecular FormulaC16H18N4O
Molecular Weight282.35 g/mol
Exact Mass282.15
IUPAC Name[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
SMILESN[C@]12CC[C@H]1CN(C(=O)c1ccc(-c3cn[nH]c3)cc1)C2
InChIInChI=1S/C16H18N4O/c17-16-6-5-14(16)9-20(10-16)15(21)12-3-1-11(2-4-12)13-7-18-19-8-13/h1-4,7-8,14H,5-6,9-10,17H2,(H,18,19)/t14-,16-/m0/s1
InChIKeyLSLDRPGMLLUPFW-HOCLYGCPSA-N
XLogP1.64
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[(3aR,7aS)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridin-5-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 166278548
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-(4-bromopyrazolo[1,5-a]pyridin-3-yl)methanone
CID 138011959
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[1-methyl-4-(trifluoromethyl)pyrazol-5-yl]methanone
CID 138011926
1-[4-(1H-pyrazol-4-yl)phenyl]piperidine-4-carboxylic acid
CID 69133100
[2-[4-(1H-pyrazol-4-yl)phenyl]-4-pyridinyl]-pyrrolidin-1-ylmethanone
CID 121494580
[1-amino-4-[4-(1H-pyrazol-4-yl)phenyl]isoquinolin-6-yl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 118669712
[2-(4-aminopiperidin-1-yl)-4-pyridinyl]-[4-(1H-pyrazol-4-yl)phenyl]methanone
CID 162705912
[6-(1H-pyrazol-4-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3931667
(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrol-2-yl)-(2-pyridin-2-ylpyrimidin-4-yl)methanone
CID 138010842
(3-hydroxypyrrolidin-1-yl)-[5-[4-(1H-pyrazol-4-yl)phenyl]-1,7-naphthyridin-3-yl]methanone;methane
CID 142527606
4-(3a-amino-1,3,4,5,6,6a-hexahydrocyclopenta[c]pyrrole-2-carbonyl)-6-chloro-1H-pyridin-2-one
CID 167952116
ethyl 4-(1H-pyrazol-4-yl)benzoate
CID 121435985

Frequently Asked Questions

What is the IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
The IUPAC name of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone (CID 138011938) is [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone.
What is the SMILES notation for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
The canonical SMILES for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone is N[C@]12CC[C@H]1CN(C(=O)c1ccc(-c3cn[nH]c3)cc1)C2.
What is the InChIKey of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
The InChIKey is LSLDRPGMLLUPFW-HOCLYGCPSA-N. The full InChI is InChI=1S/C16H18N4O/c17-16-6-5-14(16)9-20(10-16)15(21)12-3-1-11(2-4-12)13-7-18-19-8-13/h1-4,7-8,14H,5-6,9-10,17H2,(H,18,19)/t14-,16-/m0/s1.
What are the key properties of [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone?
[(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone has a molecular weight of 282.35 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,5S)-1-amino-3-azabicyclo[3.2.0]heptan-3-yl]-[4-(1H-pyrazol-4-yl)phenyl]methanone is sourced from PubChem (CID 138011938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).