2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide

C20H26N4O — CID 46834793

IUPAC2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1NC(=O)Cc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C20H26N4O/c1-23-19(7-10-21-23)22-20(25)14-15-5-6-16-8-11-24(18-3-2-4-18)12-9-17(16)13-15/h5-7,10,13,18H,2-4,8-9,11-12,14H2,1H3,(H,22,25)
InChIKeyKKXGFUVUQGYXTH-UHFFFAOYSA-N
MW338.46 g/mol
LogP2.55
Rot. Bonds4

About 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide

2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide (PubChem CID 46834793) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide
PubChem CID46834793
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide
SMILESCn1nccc1NC(=O)Cc1ccc2c(c1)CCN(C1CCC1)CC2
InChIInChI=1S/C20H26N4O/c1-23-19(7-10-21-23)22-20(25)14-15-5-6-16-8-11-24(18-3-2-4-18)12-9-17(16)13-15/h5-7,10,13,18H,2-4,8-9,11-12,14H2,1H3,(H,22,25)
InChIKeyKKXGFUVUQGYXTH-UHFFFAOYSA-N
XLogP2.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-1-morpholin-4-ylethanone
CID 58277805
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]pyridine-3-carboxamide
CID 58278026
N-(2-methylpyrazol-3-yl)-2-pyridin-4-ylacetamide
CID 112536624
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-2-fluoropyridine-4-carboxamide
CID 58277842
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)ethanamine
CID 58277841
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylpropan-2-ol
CID 58277876
1-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-pyridin-4-ylurea;hydrochloride
CID 44529387
[4-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 11538325
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-5-(dimethylamino)pyrazine-2-carboxamide
CID 53302446
2-(2,3-dihydro-1H-inden-5-yl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]acetamide
CID 9118752
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 16568057
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylacetonitrilium
CID 90946663

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide (CID 46834793) is 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide is Cn1nccc1NC(=O)Cc1ccc2c(c1)CCN(C1CCC1)CC2.
What is the InChIKey of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide?
The InChIKey is KKXGFUVUQGYXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-23-19(7-10-21-23)22-20(25)14-15-5-6-16-8-11-24(18-3-2-4-18)12-9-17(16)13-15/h5-7,10,13,18H,2-4,8-9,11-12,14H2,1H3,(H,22,25).
What are the key properties of 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide?
2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide has a molecular weight of 338.46 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(2-methylpyrazol-3-yl)acetamide is sourced from PubChem (CID 46834793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).