3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide

C19H24N4O — CID 91834645

IUPAC3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESO=C(CCN1C[C@@H]2CC[C@H]1C2)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H24N4O/c24-18(8-9-23-13-14-6-7-17(23)10-14)20-11-16-12-21-22-19(16)15-4-2-1-3-5-15/h1-5,12,14,17H,6-11,13H2,(H,20,24)(H,21,22)/t14-,17+/m1/s1
InChIKeyBQYBZHQGTWDMGF-PBHICJAKSA-N
MW324.43 g/mol
LogP2.57
Rot. Bonds6

About 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide

3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide (PubChem CID 91834645) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
PubChem CID91834645
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide
SMILESO=C(CCN1C[C@@H]2CC[C@H]1C2)NCc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H24N4O/c24-18(8-9-23-13-14-6-7-17(23)10-14)20-11-16-12-21-22-19(16)15-4-2-1-3-5-15/h1-5,12,14,17H,6-11,13H2,(H,20,24)(H,21,22)/t14-,17+/m1/s1
InChIKeyBQYBZHQGTWDMGF-PBHICJAKSA-N
XLogP2.57
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
The IUPAC name of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide (CID 91834645) is 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide.
What is the SMILES notation for 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
The canonical SMILES for 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide is O=C(CCN1C[C@@H]2CC[C@H]1C2)NCc1cn[nH]c1-c1ccccc1.
What is the InChIKey of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
The InChIKey is BQYBZHQGTWDMGF-PBHICJAKSA-N. The full InChI is InChI=1S/C19H24N4O/c24-18(8-9-23-13-14-6-7-17(23)10-14)20-11-16-12-21-22-19(16)15-4-2-1-3-5-15/h1-5,12,14,17H,6-11,13H2,(H,20,24)(H,21,22)/t14-,17+/m1/s1.
What are the key properties of 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide?
3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide has a molecular weight of 324.43 g/mol, XLogP of 2.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propanamide is sourced from PubChem (CID 91834645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).