5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide

C21H21N5O4S — CID 24650294

IUPAC5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn[nH]c1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21N5O4S/c27-20(16-8-10-17(11-9-16)31(29,30)26-12-4-5-13-26)24-25-21(28)18-14-22-23-19(18)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H,22,23)(H,24,27)(H,25,28)
InChIKeyGVZMXNUTLHLTEK-UHFFFAOYSA-N
MW439.50 g/mol
LogP1.94
Rot. Bonds5

About 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide

5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide (PubChem CID 24650294) has the molecular formula C21H21N5O4S and a molecular weight of 439.50 g/mol. Its IUPAC name is 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide.

Molecular Properties

Compound Name5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide
PubChem CID24650294
Molecular FormulaC21H21N5O4S
Molecular Weight439.50 g/mol
Exact Mass439.13
IUPAC Name5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide
SMILESO=C(NNC(=O)c1cn[nH]c1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C21H21N5O4S/c27-20(16-8-10-17(11-9-16)31(29,30)26-12-4-5-13-26)24-25-21(28)18-14-22-23-19(18)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H,22,23)(H,24,27)(H,25,28)
InChIKeyGVZMXNUTLHLTEK-UHFFFAOYSA-N
XLogP1.94
TPSA124.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.50
LogP ≤ 51.94
H-Bond Donors ≤ 53
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'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-indazole-3-carbohydrazide
CID 26876723
[2-(2-benzoylhydrazinyl)-2-oxoethyl] 4-pyrrolidin-1-ylsulfonylbenzoate
CID 29169317
4-(azepan-1-ylsulfonyl)-N'-(benzenesulfonyl)benzohydrazide
CID 1428605
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655
N'-[3-(4-piperidin-1-ylsulfonylphenyl)propanoyl]benzohydrazide
CID 9414906
N'-[(E)-3-[4-(azepan-1-ylsulfonyl)phenyl]prop-2-enoyl]benzohydrazide
CID 6071604
3-chloro-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1-benzothiophene-2-carbohydrazide
CID 4879741
azepan-1-yl-[5-[1-(benzenesulfonyl)piperidin-4-yl]-1H-pyrazol-4-yl]methanone
CID 92575414
4-(azepan-1-ylsulfonyl)-N'-(2,3,4,5,6-pentafluorophenyl)benzohydrazide
CID 26886262
N'-benzoyl-1-(4-fluorophenyl)sulfonylpiperidine-4-carbohydrazide
CID 7809293
4-(azocan-1-ylsulfonyl)benzoic acid
CID 23604687
4-pyrrolidin-1-ylsulfonyl-N-[2-[2-[(4-pyrrolidin-1-ylsulfonylbenzoyl)amino]phenyl]phenyl]benzamide
CID 4313341

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide?
The IUPAC name of 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide (CID 24650294) is 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide.
What is the SMILES notation for 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide?
The canonical SMILES for 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide is O=C(NNC(=O)c1cn[nH]c1-c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide?
The InChIKey is GVZMXNUTLHLTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O4S/c27-20(16-8-10-17(11-9-16)31(29,30)26-12-4-5-13-26)24-25-21(28)18-14-22-23-19(18)15-6-2-1-3-7-15/h1-3,6-11,14H,4-5,12-13H2,(H,22,23)(H,24,27)(H,25,28).
What are the key properties of 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide?
5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide has a molecular weight of 439.50 g/mol, XLogP of 1.94, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N'-(4-pyrrolidin-1-ylsulfonylbenzoyl)-1H-pyrazole-4-carbohydrazide is sourced from PubChem (CID 24650294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).