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

C10H17ClN4O2S — CID 47304268

IUPAC1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17ClN4O2S/c1-8-9(10(11)14(3)12-8)18(16,17)15-6-4-13(2)5-7-15/h4-7H2,1-3H3
InChIKeyURMSUQVUWNXRPD-UHFFFAOYSA-N
MW292.79 g/mol
LogP0.32
Rot. Bonds2

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

1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine (PubChem CID 47304268) has the molecular formula C10H17ClN4O2S and a molecular weight of 292.79 g/mol. Its IUPAC name is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine
PubChem CID47304268
Molecular FormulaC10H17ClN4O2S
Molecular Weight292.79 g/mol
Exact Mass292.08
IUPAC Name1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine
SMILESCc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C)CC1
InChIInChI=1S/C10H17ClN4O2S/c1-8-9(10(11)14(3)12-8)18(16,17)15-6-4-13(2)5-7-15/h4-7H2,1-3H3
InChIKeyURMSUQVUWNXRPD-UHFFFAOYSA-N
XLogP0.32
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.79
LogP ≤ 50.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine (CID 47304268) is 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine is Cc1nn(C)c(Cl)c1S(=O)(=O)N1CCN(C)CC1.
What is the InChIKey of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine?
The InChIKey is URMSUQVUWNXRPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O2S/c1-8-9(10(11)14(3)12-8)18(16,17)15-6-4-13(2)5-7-15/h4-7H2,1-3H3.
What are the key properties of 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine?
1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine has a molecular weight of 292.79 g/mol, XLogP of 0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 47304268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).