2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine

C18H17Cl2N5O2S — CID 171344713

IUPAC2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine
SMILESCS(=O)(=O)N/C(N)=N/Cc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17Cl2N5O2S/c1-28(26,27)24-18(21)22-11-15-10-17(12-2-4-13(19)5-3-12)25(23-15)16-8-6-14(20)7-9-16/h2-10H,11H2,1H3,(H3,21,22,24)
InChIKeyJXEVKJVYAKIUCZ-UHFFFAOYSA-N
MW438.34 g/mol
LogP3.21
Rot. Bonds5

About 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine

2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine (PubChem CID 171344713) has the molecular formula C18H17Cl2N5O2S and a molecular weight of 438.34 g/mol. Its IUPAC name is 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine.

Molecular Properties

Compound Name2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine
PubChem CID171344713
Molecular FormulaC18H17Cl2N5O2S
Molecular Weight438.34 g/mol
Exact Mass437.05
IUPAC Name2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine
SMILESCS(=O)(=O)N/C(N)=N/Cc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C18H17Cl2N5O2S/c1-28(26,27)24-18(21)22-11-15-10-17(12-2-4-13(19)5-3-12)25(23-15)16-8-6-14(20)7-9-16/h2-10H,11H2,1H3,(H3,21,22,24)
InChIKeyJXEVKJVYAKIUCZ-UHFFFAOYSA-N
XLogP3.21
TPSA102.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine?
The IUPAC name of 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine (CID 171344713) is 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine.
What is the SMILES notation for 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine?
The canonical SMILES for 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine is CS(=O)(=O)N/C(N)=N/Cc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine?
The InChIKey is JXEVKJVYAKIUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2S/c1-28(26,27)24-18(21)22-11-15-10-17(12-2-4-13(19)5-3-12)25(23-15)16-8-6-14(20)7-9-16/h2-10H,11H2,1H3,(H3,21,22,24).
What are the key properties of 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine?
2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine has a molecular weight of 438.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1,5-bis(4-chlorophenyl)pyrazol-3-yl]methyl]-1-methylsulfonylguanidine is sourced from PubChem (CID 171344713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).