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

C16H20N4O — CID 107462778

IUPAC3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCc1nn(C)cc1NC1CCc2ccccc2NC1=O
InChIInChI=1S/C16H20N4O/c1-3-12-15(10-20(2)19-12)17-14-9-8-11-6-4-5-7-13(11)18-16(14)21/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyQWWUBEYOQCJIEL-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.35
Rot. Bonds3

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

3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (PubChem CID 107462778) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.

Molecular Properties

Compound Name3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
PubChem CID107462778
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
SMILESCCc1nn(C)cc1NC1CCc2ccccc2NC1=O
InChIInChI=1S/C16H20N4O/c1-3-12-15(10-20(2)19-12)17-14-9-8-11-6-4-5-7-13(11)18-16(14)21/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyQWWUBEYOQCJIEL-UHFFFAOYSA-N
XLogP2.35
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one with MolForge

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Related Compounds

3-(2-iodoanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313143
3-(2-bromoanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313090
(3R)-3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1-phenylpyrrolidin-2-one
CID 97307820
3-ethyl-N-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-1-methylpyrazol-4-amine
CID 103932631
3-(3-fluoro-2-methylanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313252
3-(2-fluoro-4-methylanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313134
(8S)-8-[(3-ethyl-1-methylpyrazol-4-yl)amino]-5,6,7,8-tetrahydronaphthalen-2-ol
CID 124681098
3-(3,5-dichloroanilino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313076
N-(3-ethyl-1-methylpyrazol-4-yl)-1-methylpiperidin-4-amine
CID 115923202
3-[(6-methyl-2-pyridinyl)methylamino]-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313284
3-(3-methylbutylamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313077
3-(2-methylpropoxyamino)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 103313456

Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The IUPAC name of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one (CID 107462778) is 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one.
What is the SMILES notation for 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The canonical SMILES for 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is CCc1nn(C)cc1NC1CCc2ccccc2NC1=O.
What is the InChIKey of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
The InChIKey is QWWUBEYOQCJIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-12-15(10-20(2)19-12)17-14-9-8-11-6-4-5-7-13(11)18-16(14)21/h4-7,10,14,17H,3,8-9H2,1-2H3,(H,18,21).
What are the key properties of 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one?
3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one has a molecular weight of 284.36 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethyl-1-methylpyrazol-4-yl)amino]-1,3,4,5-tetrahydro-1-benzazepin-2-one is sourced from PubChem (CID 107462778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).