N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide

C23H25N5O4S — CID 24629750

IUPACN'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide
SMILESCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C23H25N5O4S/c1-33(31,32)27-14-12-18(13-15-27)22(29)24-25-23(30)20-16-28(19-10-6-3-7-11-19)26-21(20)17-8-4-2-5-9-17/h2-11,16,18H,12-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyWFUSJQIYWWUABP-UHFFFAOYSA-N
MW467.55 g/mol
LogP1.97
Rot. Bonds5

About N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide

N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide (PubChem CID 24629750) has the molecular formula C23H25N5O4S and a molecular weight of 467.55 g/mol. Its IUPAC name is N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide.

Molecular Properties

Compound NameN'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide
PubChem CID24629750
Molecular FormulaC23H25N5O4S
Molecular Weight467.55 g/mol
Exact Mass467.16
IUPAC NameN'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide
SMILESCS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1
InChIInChI=1S/C23H25N5O4S/c1-33(31,32)27-14-12-18(13-15-27)22(29)24-25-23(30)20-16-28(19-10-6-3-7-11-19)26-21(20)17-8-4-2-5-9-17/h2-11,16,18H,12-15H2,1H3,(H,24,29)(H,25,30)
InChIKeyWFUSJQIYWWUABP-UHFFFAOYSA-N
XLogP1.97
TPSA113.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.55
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl 4-[[(1,3-diphenylpyrazole-4-carbonyl)amino]carbamoyl]piperidine-1-carboxylate
CID 46651526
N'-(5-oxo-1-phenylpyrrolidine-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 55615757
N'-(3,4-dihydro-2H-chromene-3-carbonyl)-1,3-diphenylpyrazole-4-carbohydrazide
CID 24512674
[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]-(4-methylsulfonylpiperazin-1-yl)methanone
CID 52525608
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
CID 2431760
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
methyl 1-(1,3-diphenylpyrazol-4-yl)sulfonylpiperidine-4-carboxylate
CID 42349018
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119229120
N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 46540299
1-(1,3-diphenylpyrazole-4-carbonyl)-N-(4-methyl-1,3-thiazol-2-yl)piperidine-4-carboxamide
CID 55950995
N-(4-methylpiperazin-1-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 9204822
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068

Frequently Asked Questions

What is the IUPAC name of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide?
The IUPAC name of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide (CID 24629750) is N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide.
What is the SMILES notation for N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide?
The canonical SMILES for N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide is CS(=O)(=O)N1CCC(C(=O)NNC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1.
What is the InChIKey of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide?
The InChIKey is WFUSJQIYWWUABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4S/c1-33(31,32)27-14-12-18(13-15-27)22(29)24-25-23(30)20-16-28(19-10-6-3-7-11-19)26-21(20)17-8-4-2-5-9-17/h2-11,16,18H,12-15H2,1H3,(H,24,29)(H,25,30).
What are the key properties of N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide?
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide has a molecular weight of 467.55 g/mol, XLogP of 1.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide is sourced from PubChem (CID 24629750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).