1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol

C17H23N3O — CID 114338481

IUPAC1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESCCn1nc(C)cc1CN1CCCC(O)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-20-14(11-13(2)18-20)12-19-10-6-9-17(21)15-7-4-5-8-16(15)19/h4-5,7-8,11,17,21H,3,6,9-10,12H2,1-2H3
InChIKeyCYFZYBLHPYRXOA-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.05
Rot. Bonds3

About 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol

1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol (PubChem CID 114338481) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol.

Molecular Properties

Compound Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
PubChem CID114338481
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol
SMILESCCn1nc(C)cc1CN1CCCC(O)c2ccccc21
InChIInChI=1S/C17H23N3O/c1-3-20-14(11-13(2)18-20)12-19-10-6-9-17(21)15-7-4-5-8-16(15)19/h4-5,7-8,11,17,21H,3,6,9-10,12H2,1-2H3
InChIKeyCYFZYBLHPYRXOA-UHFFFAOYSA-N
XLogP3.05
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The IUPAC name of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol (CID 114338481) is 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol.
What is the SMILES notation for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The canonical SMILES for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol is CCn1nc(C)cc1CN1CCCC(O)c2ccccc21.
What is the InChIKey of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
The InChIKey is CYFZYBLHPYRXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-20-14(11-13(2)18-20)12-19-10-6-9-17(21)15-7-4-5-8-16(15)19/h4-5,7-8,11,17,21H,3,6,9-10,12H2,1-2H3.
What are the key properties of 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol?
1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol has a molecular weight of 285.39 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]-2,3,4,5-tetrahydro-1-benzazepin-5-ol is sourced from PubChem (CID 114338481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).