N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide

C24H30N4O3S — CID 51111573

IUPACN'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
SMILESCc1nn(C)c(C)c1CCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30N4O3S/c1-16(2)19-6-10-21(11-7-19)32(30,31)22-12-8-20(9-13-22)25-26-24(29)15-14-23-17(3)27-28(5)18(23)4/h6-13,16,25H,14-15H2,1-5H3,(H,26,29)
InChIKeyLVNYORXTCXBGLS-UHFFFAOYSA-N
MW454.60 g/mol
LogP4.07
Rot. Bonds8

About N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide

N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide (PubChem CID 51111573) has the molecular formula C24H30N4O3S and a molecular weight of 454.60 g/mol. Its IUPAC name is N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide.

Molecular Properties

Compound NameN'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
PubChem CID51111573
Molecular FormulaC24H30N4O3S
Molecular Weight454.60 g/mol
Exact Mass454.20
IUPAC NameN'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide
SMILESCc1nn(C)c(C)c1CCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C24H30N4O3S/c1-16(2)19-6-10-21(11-7-19)32(30,31)22-12-8-20(9-13-22)25-26-24(29)15-14-23-17(3)27-28(5)18(23)4/h6-13,16,25H,14-15H2,1-5H3,(H,26,29)
InChIKeyLVNYORXTCXBGLS-UHFFFAOYSA-N
XLogP4.07
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.60
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-methylsulfonylphenyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 51290114
N-(3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 47141857
N-[bis(4-methoxyphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 35091912
3-methyl-N-[4-[methyl-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]sulfamoyl]phenyl]butanamide
CID 46353509
N-[(2R)-2-hydroxypropyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 83031321
N-[(2S)-butan-2-yl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 94532619
3-hydroxy-2-[3-(1,3,5-trimethylpyrazol-4-yl)propanoylamino]butanoic acid
CID 43353725
N-[(1S)-1-(4-sulfamoylphenyl)ethyl]-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 41358567
N-[(4-chlorophenyl)-thiophen-3-ylmethyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 60579990
N-(1-hydroxy-3-methylbutan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 79252559
N-(1-aminopropan-2-yl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 110834085
N-(6-amino-3-pyridinyl)-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 119515818

Frequently Asked Questions

What is the IUPAC name of N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The IUPAC name of N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide (CID 51111573) is N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide.
What is the SMILES notation for N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The canonical SMILES for N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide is Cc1nn(C)c(C)c1CCC(=O)NNc1ccc(S(=O)(=O)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
The InChIKey is LVNYORXTCXBGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O3S/c1-16(2)19-6-10-21(11-7-19)32(30,31)22-12-8-20(9-13-22)25-26-24(29)15-14-23-17(3)27-28(5)18(23)4/h6-13,16,25H,14-15H2,1-5H3,(H,26,29).
What are the key properties of N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide?
N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide has a molecular weight of 454.60 g/mol, XLogP of 4.07, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(4-propan-2-ylphenyl)sulfonylphenyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanehydrazide is sourced from PubChem (CID 51111573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).