N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide

C21H26N4O4S — CID 122152600

IUPACN-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC4CC5CC4C3C5O)cc2)n1
InChIInChI=1S/C21H26N4O4S/c1-12(2)24-8-7-18(23-24)21(27)22-15-3-5-16(6-4-15)30(28,29)25-11-14-9-13-10-17(14)19(25)20(13)26/h3-8,12-14,17,19-20,26H,9-11H2,1-2H3,(H,22,27)
InChIKeyXZSQJXLDFNTYBB-UHFFFAOYSA-N
MW430.53 g/mol
LogP2.11
Rot. Bonds5

About N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide

N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide (PubChem CID 122152600) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide
PubChem CID122152600
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC NameN-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide
SMILESCC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC4CC5CC4C3C5O)cc2)n1
InChIInChI=1S/C21H26N4O4S/c1-12(2)24-8-7-18(23-24)21(27)22-15-3-5-16(6-4-15)30(28,29)25-11-14-9-13-10-17(14)19(25)20(13)26/h3-8,12-14,17,19-20,26H,9-11H2,1-2H3,(H,22,27)
InChIKeyXZSQJXLDFNTYBB-UHFFFAOYSA-N
XLogP2.11
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]pyridine-2-carboxamide
CID 122152580
N-[4-[(2R)-4-oxoazetidin-2-yl]oxyphenyl]-1-propan-2-ylpyrazole-3-carboxamide
CID 125420175
(1S,2S,5R)-N-(4-fluorophenyl)-3-(4-methylphenyl)sulfonyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 124808065
4-methylsulfonyl-4-azatricyclo[4.2.1.03,7]nonan-2-ol
CID 102154722
N-[4-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonylphenyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 2449783
2-hydroxy-N-(2-methylpropyl)-4-azatricyclo[4.2.1.03,7]nonane-4-sulfonamide
CID 114247593
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-1-phenylpyrazole-3-carboxamide
CID 55668651
2-[3-[(4-phenylphenyl)carbamoyl]pyrazol-1-yl]propanoic acid
CID 19504136
N-[4-(3,5-dimethylpiperidin-1-yl)sulfonylphenyl]-2,5-difluorobenzamide
CID 43030164
propan-2-yl (2S)-3-methyl-2-[(1-propan-2-ylpyrazole-3-carbonyl)amino]butanoate
CID 122151920
N-[5-(2,4-difluorophenyl)-1,3,4-oxadiazol-2-yl]-1-propan-2-ylpyrazole-3-carboxamide
CID 43972269
N-(4-cyanophenyl)-4-(3,5-dimethylpiperidin-1-yl)sulfonylbenzamide
CID 18266563

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide (CID 122152600) is N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide is CC(C)n1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CC4CC5CC4C3C5O)cc2)n1.
What is the InChIKey of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is XZSQJXLDFNTYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-12(2)24-8-7-18(23-24)21(27)22-15-3-5-16(6-4-15)30(28,29)25-11-14-9-13-10-17(14)19(25)20(13)26/h3-8,12-14,17,19-20,26H,9-11H2,1-2H3,(H,22,27).
What are the key properties of N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide?
N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-hydroxy-4-azatricyclo[4.2.1.03,7]nonan-4-yl)sulfonyl]phenyl]-1-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 122152600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).