4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole

C10H13ClN4O2S — CID 6469380

IUPAC4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(C)cc1S(=O)(=O)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H13ClN4O2S/c1-6-9(5-14(4)12-6)18(16,17)15-8(3)10(11)7(2)13-15/h5H,1-4H3
InChIKeyDZZTWOHPPCYMNS-UHFFFAOYSA-N
MW288.76 g/mol
LogP1.43
Rot. Bonds2

About 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole

4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole (PubChem CID 6469380) has the molecular formula C10H13ClN4O2S and a molecular weight of 288.76 g/mol. Its IUPAC name is 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole.

Molecular Properties

Compound Name4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole
PubChem CID6469380
Molecular FormulaC10H13ClN4O2S
Molecular Weight288.76 g/mol
Exact Mass288.04
IUPAC Name4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole
SMILESCc1nn(C)cc1S(=O)(=O)n1nc(C)c(Cl)c1C
InChIInChI=1S/C10H13ClN4O2S/c1-6-9(5-14(4)12-6)18(16,17)15-8(3)10(11)7(2)13-15/h5H,1-4H3
InChIKeyDZZTWOHPPCYMNS-UHFFFAOYSA-N
XLogP1.43
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.76
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole?
The IUPAC name of 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole (CID 6469380) is 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole.
What is the SMILES notation for 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole?
The canonical SMILES for 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole is Cc1nn(C)cc1S(=O)(=O)n1nc(C)c(Cl)c1C.
What is the InChIKey of 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole?
The InChIKey is DZZTWOHPPCYMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O2S/c1-6-9(5-14(4)12-6)18(16,17)15-8(3)10(11)7(2)13-15/h5H,1-4H3.
What are the key properties of 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole?
4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole has a molecular weight of 288.76 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(1,3-dimethylpyrazol-4-yl)sulfonyl-3,5-dimethylpyrazole is sourced from PubChem (CID 6469380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).