2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine

C23H21N7O2S — CID 10527917

IUPAC2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine
SMILESCc1c(/N=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H21N7O2S/c1-16-21(27-26-18-12-14-20(15-13-18)33(31,32)29-23(24)25)22(17-8-4-2-5-9-17)28-30(16)19-10-6-3-7-11-19/h2-15H,1H3,(H4,24,25,29)/b27-26+
InChIKeyRYELNLRRUXHAPB-CYYJNZCTSA-N
MW459.54 g/mol
LogP4.23
Rot. Bonds6

About 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine

2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine (PubChem CID 10527917) has the molecular formula C23H21N7O2S and a molecular weight of 459.54 g/mol. Its IUPAC name is 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine.

Molecular Properties

Compound Name2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine
PubChem CID10527917
Molecular FormulaC23H21N7O2S
Molecular Weight459.54 g/mol
Exact Mass459.15
IUPAC Name2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine
SMILESCc1c(/N=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)c(-c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C23H21N7O2S/c1-16-21(27-26-18-12-14-20(15-13-18)33(31,32)29-23(24)25)22(17-8-4-2-5-9-17)28-30(16)19-10-6-3-7-11-19/h2-15H,1H3,(H4,24,25,29)/b27-26+
InChIKeyRYELNLRRUXHAPB-CYYJNZCTSA-N
XLogP4.23
TPSA141.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.54
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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4-{5-Phenyl-3-[3-(3-phenyl-ureido)-propyl]-pyrazol-1-yl}-benzenesulfonamide
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Desmethyl Celecoxib
CID 6426663
4-[2-(4-Fluoro-phenyl)-5-trifluoromethyl-2H-pyrazol-3-yl]-benzenesulfonamide
CID 9800270
4-[5-(4-Dimethylamino-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9822818
4-(3-Difluoromethyl-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 9841276
4-(3-Difluoromethyl-5-p-tolyl-pyrazol-1-yl)-benzenesulfonamide
CID 9885354
4-[5-(4-Ethyl-phenyl)-3-trifluoromethyl-pyrazol-1-yl]-benzenesulfonamide
CID 9908677
4-[3-Cyano-5-(4-fluoro-phenyl)-pyrazol-1-yl]-benzenesulfonamide
CID 9967867

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?
The IUPAC name of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine (CID 10527917) is 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine.
What is the SMILES notation for 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?
The canonical SMILES for 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine is Cc1c(/N=N/c2ccc(S(=O)(=O)N=C(N)N)cc2)c(-c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?
The InChIKey is RYELNLRRUXHAPB-CYYJNZCTSA-N. The full InChI is InChI=1S/C23H21N7O2S/c1-16-21(27-26-18-12-14-20(15-13-18)33(31,32)29-23(24)25)22(17-8-4-2-5-9-17)28-30(16)19-10-6-3-7-11-19/h2-15H,1H3,(H4,24,25,29)/b27-26+.
What are the key properties of 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine?
2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine has a molecular weight of 459.54 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(5-methyl-1,3-diphenylpyrazol-4-yl)diazenyl]phenyl]sulfonylguanidine is sourced from PubChem (CID 10527917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).