8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one

C17H22N4O — CID 143256679

IUPAC8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one
SMILESCCCCc1cc(N)n(-c2ccc3c(c2)CCNC(=O)C3)n1
InChIInChI=1S/C17H22N4O/c1-2-3-4-14-11-16(18)21(20-14)15-6-5-12-10-17(22)19-8-7-13(12)9-15/h5-6,9,11H,2-4,7-8,10,18H2,1H3,(H,19,22)
InChIKeyYSHAOVZLKIPVFQ-UHFFFAOYSA-N
MW298.39 g/mol
LogP2.01
Rot. Bonds4

About 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one

8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one (PubChem CID 143256679) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one.

Molecular Properties

Compound Name8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one
PubChem CID143256679
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one
SMILESCCCCc1cc(N)n(-c2ccc3c(c2)CCNC(=O)C3)n1
InChIInChI=1S/C17H22N4O/c1-2-3-4-14-11-16(18)21(20-14)15-6-5-12-10-17(22)19-8-7-13(12)9-15/h5-6,9,11H,2-4,7-8,10,18H2,1H3,(H,19,22)
InChIKeyYSHAOVZLKIPVFQ-UHFFFAOYSA-N
XLogP2.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
The IUPAC name of 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one (CID 143256679) is 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one.
What is the SMILES notation for 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
The canonical SMILES for 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one is CCCCc1cc(N)n(-c2ccc3c(c2)CCNC(=O)C3)n1.
What is the InChIKey of 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
The InChIKey is YSHAOVZLKIPVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O/c1-2-3-4-14-11-16(18)21(20-14)15-6-5-12-10-17(22)19-8-7-13(12)9-15/h5-6,9,11H,2-4,7-8,10,18H2,1H3,(H,19,22).
What are the key properties of 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one?
8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one has a molecular weight of 298.39 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(5-amino-3-butylpyrazol-1-yl)-1,2,3,5-tetrahydro-3-benzazepin-4-one is sourced from PubChem (CID 143256679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).