1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide

C19H20N4O3S — CID 2431760

IUPAC1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
SMILESCCCS(=O)(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N4O3S/c1-2-13-27(25,26)22-20-19(24)17-14-23(16-11-7-4-8-12-16)21-18(17)15-9-5-3-6-10-15/h3-12,14,22H,2,13H2,1H3,(H,20,24)
InChIKeyCHUAAEZUEMIOFC-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.51
Rot. Bonds7

About 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide

1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide (PubChem CID 2431760) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide.

Molecular Properties

Compound Name1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
PubChem CID2431760
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide
SMILESCCCS(=O)(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N4O3S/c1-2-13-27(25,26)22-20-19(24)17-14-23(16-11-7-4-8-12-16)21-18(17)15-9-5-3-6-10-15/h3-12,14,22H,2,13H2,1H3,(H,20,24)
InChIKeyCHUAAEZUEMIOFC-UHFFFAOYSA-N
XLogP2.51
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-hexanoyl-1,3-diphenylpyrazole-4-carbohydrazide
CID 36708528
N',1,3-triphenylpyrazole-4-carbohydrazide
CID 78775028
N'-[(3R)-3-methylpent-1-en-2-yl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 2357068
N-[(2R)-1-oxo-1-(propylamino)propan-2-yl]-1,3-diphenylpyrazole-4-carboxamide
CID 9227685
N-(1-hydroxypropan-2-yl)-1,3-diphenylpyrazole-4-carboxamide
CID 78856855
N-[2-[2-(1,3-diphenylpyrazole-4-carbonyl)hydrazinyl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 35001279
ethyl N-[(1-phenyl-3-pyridin-3-ylpyrazole-4-carbonyl)amino]carbamate
CID 51218944
N'-(1,3-diphenylpyrazole-4-carbonyl)-1-methylsulfonylpiperidine-4-carbohydrazide
CID 24629750
N-[2-(dimethylamino)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 42282105
N'-[2-(2-methoxyphenyl)acetyl]-1,3-diphenylpyrazole-4-carbohydrazide
CID 35000948
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-1,3-diphenylpyrazole-4-carboxamide
CID 19281272
N-(3-hydroxybutyl)-1,3-diphenylpyrazole-4-carboxamide
CID 111429323

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide?
The IUPAC name of 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide (CID 2431760) is 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide.
What is the SMILES notation for 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide?
The canonical SMILES for 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide is CCCS(=O)(=O)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide?
The InChIKey is CHUAAEZUEMIOFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-2-13-27(25,26)22-20-19(24)17-14-23(16-11-7-4-8-12-16)21-18(17)15-9-5-3-6-10-15/h3-12,14,22H,2,13H2,1H3,(H,20,24).
What are the key properties of 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide?
1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide has a molecular weight of 384.46 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N'-propylsulfonylpyrazole-4-carbohydrazide is sourced from PubChem (CID 2431760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).