1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole

C19H19ClN6O2S — CID 19588269

IUPAC1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
SMILESCc1nn(C)cc1-c1nn(S(=O)(=O)c2ccccc2)c(-c2cn(C)nc2C)c1Cl
InChIInChI=1S/C19H19ClN6O2S/c1-12-15(10-24(3)21-12)18-17(20)19(16-11-25(4)22-13(16)2)26(23-18)29(27,28)14-8-6-5-7-9-14/h5-11H,1-4H3
InChIKeyDVXYOWSFZSTUSP-UHFFFAOYSA-N
MW430.92 g/mol
LogP3.19
Rot. Bonds4

About 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole

1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole (PubChem CID 19588269) has the molecular formula C19H19ClN6O2S and a molecular weight of 430.92 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
PubChem CID19588269
Molecular FormulaC19H19ClN6O2S
Molecular Weight430.92 g/mol
Exact Mass430.10
IUPAC Name1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole
SMILESCc1nn(C)cc1-c1nn(S(=O)(=O)c2ccccc2)c(-c2cn(C)nc2C)c1Cl
InChIInChI=1S/C19H19ClN6O2S/c1-12-15(10-24(3)21-12)18-17(20)19(16-11-25(4)22-13(16)2)26(23-18)29(27,28)14-8-6-5-7-9-14/h5-11H,1-4H3
InChIKeyDVXYOWSFZSTUSP-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

Analyze 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-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-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The IUPAC name of 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole (CID 19588269) is 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole.
What is the SMILES notation for 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The canonical SMILES for 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole is Cc1nn(C)cc1-c1nn(S(=O)(=O)c2ccccc2)c(-c2cn(C)nc2C)c1Cl.
What is the InChIKey of 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
The InChIKey is DVXYOWSFZSTUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6O2S/c1-12-15(10-24(3)21-12)18-17(20)19(16-11-25(4)22-13(16)2)26(23-18)29(27,28)14-8-6-5-7-9-14/h5-11H,1-4H3.
What are the key properties of 1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole?
1-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-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-(benzenesulfonyl)-4-chloro-3,5-bis(1,3-dimethylpyrazol-4-yl)pyrazole is sourced from PubChem (CID 19588269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).