N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

C19H28N4O3 — CID 98422247

About N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (PubChem CID 98422247) has the molecular formula C19H28N4O3 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
• PubChem CID: 98422247
• Molecular Formula: C19H28N4O3
• Molecular Weight: 360.46 g/mol
• Exact Mass: 360.22
• IUPAC Name: N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide
• SMILES: C[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@H]1C[C@H]2CC[C@H]1C2
• InChI: InChI=1S/C19H28N4O3/c1-12(15-10-13-3-4-14(15)9-13)20-18(24)17-11-16(21-22(17)2)19(25)23-5-7-26-8-6-23/h11-15H,3-10H2,1-2H3,(H,20,24)/t12-,13-,14-,15+/m0/s1
• InChIKey: XTYMRHPUEMVNQC-ZQDZILKHSA-N
• XLogP: 1.45
• TPSA: 76.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.46
LogP ≤ 5	1.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?

The IUPAC name of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide (CID 98422247) is N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide.

What is the SMILES notation for N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?

The canonical SMILES for N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is C[C@H](NC(=O)c1cc(C(=O)N2CCOCC2)nn1C)[C@H]1C[C@H]2CC[C@H]1C2.

What is the InChIKey of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?

The InChIKey is XTYMRHPUEMVNQC-ZQDZILKHSA-N. The full InChI is InChI=1S/C19H28N4O3/c1-12(15-10-13-3-4-14(15)9-13)20-18(24)17-11-16(21-22(17)2)19(25)23-5-7-26-8-6-23/h11-15H,3-10H2,1-2H3,(H,20,24)/t12-,13-,14-,15+/m0/s1.

What are the key properties of N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide?

N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-3-(morpholine-4-carbonyl)pyrazole-5-carboxamide is sourced from PubChem (CID 98422247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).