1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole

C17H15ClN6O2S — CID 19588122

IUPAC1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C17H15ClN6O2S/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)27(25,26)15-5-3-14(18)4-6-15/h3-11H,1-2H3
InChIKeyNFQOGQBPIKUWHK-UHFFFAOYSA-N
MW402.87 g/mol
LogP2.57
Rot. Bonds4

About 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole

1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole (PubChem CID 19588122) has the molecular formula C17H15ClN6O2S and a molecular weight of 402.87 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole
PubChem CID19588122
Molecular FormulaC17H15ClN6O2S
Molecular Weight402.87 g/mol
Exact Mass402.07
IUPAC Name1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole
SMILESCn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cn1
InChIInChI=1S/C17H15ClN6O2S/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)27(25,26)15-5-3-14(18)4-6-15/h3-11H,1-2H3
InChIKeyNFQOGQBPIKUWHK-UHFFFAOYSA-N
XLogP2.57
TPSA87.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.87
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole 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 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole (CID 19588122) is 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole is Cn1cc(-c2cc(-c3cnn(C)c3)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cn1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
The InChIKey is NFQOGQBPIKUWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN6O2S/c1-22-10-12(8-19-22)16-7-17(13-9-20-23(2)11-13)24(21-16)27(25,26)15-5-3-14(18)4-6-15/h3-11H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole?
1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole has a molecular weight of 402.87 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1-methylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).