2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

C15H18N4O — CID 63155036

IUPAC2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESNc1ccn(CC(=O)N2CCCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O/c16-14-7-9-19(17-14)11-15(20)18-8-3-6-12-4-1-2-5-13(12)10-18/h1-2,4-5,7,9H,3,6,8,10-11H2,(H2,16,17)
InChIKeyRYWQKJYQTYFOLL-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.44
Rot. Bonds2

About 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone

2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (PubChem CID 63155036) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
PubChem CID63155036
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone
SMILESNc1ccn(CC(=O)N2CCCc3ccccc3C2)n1
InChIInChI=1S/C15H18N4O/c16-14-7-9-19(17-14)11-15(20)18-8-3-6-12-4-1-2-5-13(12)10-18/h1-2,4-5,7,9H,3,6,8,10-11H2,(H2,16,17)
InChIKeyRYWQKJYQTYFOLL-UHFFFAOYSA-N
XLogP1.44
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone (CID 63155036) is 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is Nc1ccn(CC(=O)N2CCCc3ccccc3C2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
The InChIKey is RYWQKJYQTYFOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c16-14-7-9-19(17-14)11-15(20)18-8-3-6-12-4-1-2-5-13(12)10-18/h1-2,4-5,7,9H,3,6,8,10-11H2,(H2,16,17).
What are the key properties of 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone?
2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone has a molecular weight of 270.34 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-1-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)ethanone is sourced from PubChem (CID 63155036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).