5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C19H23N5O4S — CID 154754230

IUPAC5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1
InChIInChI=1S/C19H23N5O4S/c20-19(26)15-10-21-23-18(15)13-4-2-8-24(11-13)29(27,28)14-6-7-16-12(9-14)3-1-5-17(25)22-16/h6-7,9-10,13H,1-5,8,11H2,(H2,20,26)(H,21,23)(H,22,25)
InChIKeyYVHJUDBMBUTYOO-UHFFFAOYSA-N
MW417.49 g/mol
LogP1.35
Rot. Bonds4

About 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 154754230) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID154754230
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESNC(=O)c1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1
InChIInChI=1S/C19H23N5O4S/c20-19(26)15-10-21-23-18(15)13-4-2-8-24(11-13)29(27,28)14-6-7-16-12(9-14)3-1-5-17(25)22-16/h6-7,9-10,13H,1-5,8,11H2,(H2,20,26)(H,21,23)(H,22,25)
InChIKeyYVHJUDBMBUTYOO-UHFFFAOYSA-N
XLogP1.35
TPSA138.25 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 128970040
(3S)-1-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonyl]piperidine-3-carboxamide
CID 8799638
7-[3-(4-methylpiperidine-1-carbonyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 20927898
6-[3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 75400365
N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 46282231
(3S)-N-cycloheptyl-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide
CID 92723399
N-(2-aminoethyl)-1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidine-3-carboxamide;hydrochloride
CID 119971230
7-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 46282242
7-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylsulfonyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 126767108
[5-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124982796
7-[4-(1-aminoethyl)piperidin-1-yl]sulfonyl-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 119974817
6-[3-(5-fluoropyrimidin-2-yl)oxypiperidin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one
CID 122267262

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 154754230) is 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is NC(=O)c1cn[nH]c1C1CCCN(S(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C1.
What is the InChIKey of 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is YVHJUDBMBUTYOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c20-19(26)15-10-21-23-18(15)13-4-2-8-24(11-13)29(27,28)14-6-7-16-12(9-14)3-1-5-17(25)22-16/h6-7,9-10,13H,1-5,8,11H2,(H2,20,26)(H,21,23)(H,22,25).
What are the key properties of 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 417.49 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 154754230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).