1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide

C19H23ClN4O2 — CID 98273354

About 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide

1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide (PubChem CID 98273354) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
• PubChem CID: 98273354
• Molecular Formula: C19H23ClN4O2
• Molecular Weight: 374.87 g/mol
• Exact Mass: 374.15
• IUPAC Name: 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide
• SMILES: CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccn(COc3cccc(Cl)c3)n1)C2
• InChI: InChI=1S/C19H23ClN4O2/c1-23-15-5-6-16(23)11-14(10-15)21-19(25)18-7-8-24(22-18)12-26-17-4-2-3-13(20)9-17/h2-4,7-9,14-16H,5-6,10-12H2,1H3,(H,21,25)/t15-,16-/m0/s1
• InChIKey: ULIRZLLZZBJYAJ-HOTGVXAUSA-N
• XLogP: 2.93
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.87
LogP ≤ 5	2.93
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide?

The IUPAC name of 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide (CID 98273354) is 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide?

The canonical SMILES for 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide is CN1[C@H]2CC[C@H]1CC(NC(=O)c1ccn(COc3cccc(Cl)c3)n1)C2.

What is the InChIKey of 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide?

The InChIKey is ULIRZLLZZBJYAJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c1-23-15-5-6-16(23)11-14(10-15)21-19(25)18-7-8-24(22-18)12-26-17-4-2-3-13(20)9-17/h2-4,7-9,14-16H,5-6,10-12H2,1H3,(H,21,25)/t15-,16-/m0/s1.

What are the key properties of 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide?

1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide has a molecular weight of 374.87 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(3-chlorophenoxy)methyl]-N-[(1S,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 98273354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).