(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

C15H17N3O — CID 86768825

IUPAC(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)n[nH]1
InChIInChI=1S/C15H17N3O/c1-11-10-13(17-16-11)15(19)18-9-5-4-7-12-6-2-3-8-14(12)18/h2-3,6,8,10H,4-5,7,9H2,1H3,(H,16,17)
InChIKeyBPWCDBLYKWYNIC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.70
Rot. Bonds1

About (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone

(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (PubChem CID 86768825) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.

Molecular Properties

Compound Name(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
PubChem CID86768825
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
SMILESCc1cc(C(=O)N2CCCCc3ccccc32)n[nH]1
InChIInChI=1S/C15H17N3O/c1-11-10-13(17-16-11)15(19)18-9-5-4-7-12-6-2-3-8-14(12)18/h2-3,6,8,10H,4-5,7,9H2,1H3,(H,16,17)
InChIKeyBPWCDBLYKWYNIC-UHFFFAOYSA-N
XLogP2.70
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone with MolForge

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Related Compounds

cyclopropyl-[5-(5-methyl-1H-pyrazole-3-carbonyl)-3,4-dihydro-2H-1,5-benzodiazepin-1-yl]methanone
CID 91924237
3,4-dihydro-2H-quinolin-1-yl-(3,5-dimethyl-1H-pyrazol-4-yl)methanone
CID 43582708
(5-cyclopropyl-1H-pyrazol-3-yl)-(2,3-dihydroindol-1-yl)methanone
CID 19591093
(5-bromo-2-pyridinyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 62998701
[2-(azepan-1-yl)-6-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109334352
3,4-dihydro-2H-quinolin-1-yl-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)methanone
CID 109322335
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
3,4-dihydro-2H-quinolin-1-yl-[2-[(4-fluorophenyl)methylamino]-6-methylpyrimidin-4-yl]methanone
CID 109328663
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112848635
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372

Frequently Asked Questions

What is the IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The IUPAC name of (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone (CID 86768825) is (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone.
What is the SMILES notation for (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The canonical SMILES for (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is Cc1cc(C(=O)N2CCCCc3ccccc32)n[nH]1.
What is the InChIKey of (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
The InChIKey is BPWCDBLYKWYNIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-11-10-13(17-16-11)15(19)18-9-5-4-7-12-6-2-3-8-14(12)18/h2-3,6,8,10H,4-5,7,9H2,1H3,(H,16,17).
What are the key properties of (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone?
(5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone has a molecular weight of 255.32 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1H-pyrazol-3-yl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone is sourced from PubChem (CID 86768825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).