N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

C20H17N5O3S — CID 3849358

IUPACN'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C20H17N5O3S/c26-19(22-23-29(27,28)17-11-5-2-6-12-17)18-15-21-25(16-9-3-1-4-10-16)20(18)24-13-7-8-14-24/h1-15,23H,(H,22,26)
InChIKeyCQNNNMCEDRBBFN-UHFFFAOYSA-N
MW407.46 g/mol
LogP2.29
Rot. Bonds6

About N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (PubChem CID 3849358) has the molecular formula C20H17N5O3S and a molecular weight of 407.46 g/mol. Its IUPAC name is N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
PubChem CID3849358
Molecular FormulaC20H17N5O3S
Molecular Weight407.46 g/mol
Exact Mass407.11
IUPAC NameN'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccccc1)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C20H17N5O3S/c26-19(22-23-29(27,28)17-11-5-2-6-12-17)18-15-21-25(16-9-3-1-4-10-16)20(18)24-13-7-8-14-24/h1-15,23H,(H,22,26)
InChIKeyCQNNNMCEDRBBFN-UHFFFAOYSA-N
XLogP2.29
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.46
LogP ≤ 52.29
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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Frequently Asked Questions

What is the IUPAC name of N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (CID 3849358) is N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccccc1)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The InChIKey is CQNNNMCEDRBBFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3S/c26-19(22-23-29(27,28)17-11-5-2-6-12-17)18-15-21-25(16-9-3-1-4-10-16)20(18)24-13-7-8-14-24/h1-15,23H,(H,22,26).
What are the key properties of N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide has a molecular weight of 407.46 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(benzenesulfonyl)-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 3849358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).