5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

C19H25N5O3S — CID 128970040

IUPAC5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN1CCCc2ccc(S(=O)(=O)N3CCCC(c4[nH]ncc4C(N)=O)C3)cc21
InChIInChI=1S/C19H25N5O3S/c1-23-8-2-4-13-6-7-15(10-17(13)23)28(26,27)24-9-3-5-14(12-24)18-16(19(20)25)11-21-22-18/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H2,20,25)(H,21,22)
InChIKeyARMRURONJDIIKL-UHFFFAOYSA-N
MW403.51 g/mol
LogP1.46
Rot. Bonds4

About 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide

5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (PubChem CID 128970040) has the molecular formula C19H25N5O3S and a molecular weight of 403.51 g/mol. Its IUPAC name is 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
PubChem CID128970040
Molecular FormulaC19H25N5O3S
Molecular Weight403.51 g/mol
Exact Mass403.17
IUPAC Name5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
SMILESCN1CCCc2ccc(S(=O)(=O)N3CCCC(c4[nH]ncc4C(N)=O)C3)cc21
InChIInChI=1S/C19H25N5O3S/c1-23-8-2-4-13-6-7-15(10-17(13)23)28(26,27)24-9-3-5-14(12-24)18-16(19(20)25)11-21-22-18/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H2,20,25)(H,21,22)
InChIKeyARMRURONJDIIKL-UHFFFAOYSA-N
XLogP1.46
TPSA112.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide with MolForge

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Related Compounds

5-[1-[(2-oxo-1,3,4,5-tetrahydro-1-benzazepin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 154754230
[5-[(3S)-1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]-pyrrolidin-1-ylmethanone
CID 124982796
sodium;hydride;1-methyl-3,4-dihydro-2H-quinoline-7-sulfonic acid
CID 173415123
1-ethyl-3-[5-[1-(4-methylphenyl)sulfonylpiperidin-3-yl]-1H-pyrazol-4-yl]urea
CID 75474634
N-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]acetamide
CID 84586935
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)piperidin-3-ol
CID 43394280
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-methylsulfonylpiperidine
CID 95817352
N-(2-cyclopropyl-2-hydroxyethyl)-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 139012528
N-[[(1R,2R)-2-hydroxycyclopentyl]methyl]-1-methyl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 98853358
5-[1-[2-hydroxy-3-[3-(trifluoromethyl)phenyl]propanoyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide
CID 166196863
1-methyl-2,3,4,5-tetrahydro-1-benzazepine-8-sulfonyl chloride
CID 84709963
5-(3-acetamidopiperidin-1-yl)sulfonyl-1H-pyrazole-4-carboxylic acid
CID 60951312

Frequently Asked Questions

What is the IUPAC name of 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide (CID 128970040) is 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is CN1CCCc2ccc(S(=O)(=O)N3CCCC(c4[nH]ncc4C(N)=O)C3)cc21.
What is the InChIKey of 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
The InChIKey is ARMRURONJDIIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O3S/c1-23-8-2-4-13-6-7-15(10-17(13)23)28(26,27)24-9-3-5-14(12-24)18-16(19(20)25)11-21-22-18/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H2,20,25)(H,21,22).
What are the key properties of 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide?
5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide has a molecular weight of 403.51 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-[(1-methyl-3,4-dihydro-2H-quinolin-7-yl)sulfonyl]piperidin-3-yl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 128970040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).