N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

C18H24N4O — CID 129379800

About N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide

N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (PubChem CID 129379800) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
• PubChem CID: 129379800
• Molecular Formula: C18H24N4O
• Molecular Weight: 312.42 g/mol
• Exact Mass: 312.20
• IUPAC Name: N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
• SMILES: C[C@H](CNC(=O)N1CCc2ccccc2CC1)Cn1cccn1
• InChI: InChI=1S/C18H24N4O/c1-15(14-22-10-4-9-20-22)13-19-18(23)21-11-7-16-5-2-3-6-17(16)8-12-21/h2-6,9-10,15H,7-8,11-14H2,1H3,(H,19,23)/t15-/m1/s1
• InChIKey: KAIUODSOIWACPY-OAHLLOKOSA-N
• XLogP: 2.33
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	312.42
LogP ≤ 5	2.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?

The IUPAC name of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide (CID 129379800) is N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide.

What is the SMILES notation for N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?

The canonical SMILES for N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is C[C@H](CNC(=O)N1CCc2ccccc2CC1)Cn1cccn1.

What is the InChIKey of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?

The InChIKey is KAIUODSOIWACPY-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N4O/c1-15(14-22-10-4-9-20-22)13-19-18(23)21-11-7-16-5-2-3-6-17(16)8-12-21/h2-6,9-10,15H,7-8,11-14H2,1H3,(H,19,23)/t15-/m1/s1.

What are the key properties of N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide?

N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide is sourced from PubChem (CID 129379800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).