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

C19H19ClN6O2S — CID 19588108

IUPAC1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cnn1C
InChIInChI=1S/C19H19ClN6O2S/c1-12-16(10-21-24(12)3)18-9-19(17-11-22-25(4)13(17)2)26(23-18)29(27,28)15-7-5-14(20)6-8-15/h5-11H,1-4H3
InChIKeyPTRWTADAWWKVMF-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.19
Rot. Bonds4

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

1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole (PubChem CID 19588108) has the molecular formula C19H19ClN6O2S and a molecular weight of 430.92 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole
PubChem CID19588108
Molecular FormulaC19H19ClN6O2S
Molecular Weight430.92 g/mol
Exact Mass430.10
IUPAC Name1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole
SMILESCc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cnn1C
InChIInChI=1S/C19H19ClN6O2S/c1-12-16(10-21-24(12)3)18-9-19(17-11-22-25(4)13(17)2)26(23-18)29(27,28)15-7-5-14(20)6-8-15/h5-11H,1-4H3
InChIKeyPTRWTADAWWKVMF-UHFFFAOYSA-N
XLogP3.19
TPSA87.60 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.92
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole (CID 19588108) is 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole is Cc1c(-c2cc(-c3cnn(C)c3C)n(S(=O)(=O)c3ccc(Cl)cc3)n2)cnn1C.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
The InChIKey is PTRWTADAWWKVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2S/c1-12-16(10-21-24(12)3)18-9-19(17-11-22-25(4)13(17)2)26(23-18)29(27,28)15-7-5-14(20)6-8-15/h5-11H,1-4H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole?
1-(4-chlorophenyl)sulfonyl-3,5-bis(1,5-dimethylpyrazol-4-yl)pyrazole has a molecular weight of 430.92 g/mol, XLogP of 3.19, 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(1,5-dimethylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).