1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine

C9H15ClN4O2S — CID 106150550

IUPAC1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C9H15ClN4O2S/c1-12-3-5-14(6-4-12)17(15,16)9-8(10)7-11-13(9)2/h7H,3-6H2,1-2H3
InChIKeyLFBWERXSFAQHSK-UHFFFAOYSA-N
MW278.76 g/mol
LogP0.01
Rot. Bonds2

About 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine

1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine (PubChem CID 106150550) has the molecular formula C9H15ClN4O2S and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine.

Molecular Properties

Compound Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine
PubChem CID106150550
Molecular FormulaC9H15ClN4O2S
Molecular Weight278.76 g/mol
Exact Mass278.06
IUPAC Name1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine
SMILESCN1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1
InChIInChI=1S/C9H15ClN4O2S/c1-12-3-5-14(6-4-12)17(15,16)9-8(10)7-11-13(9)2/h7H,3-6H2,1-2H3
InChIKeyLFBWERXSFAQHSK-UHFFFAOYSA-N
XLogP0.01
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine?
The IUPAC name of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine (CID 106150550) is 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine.
What is the SMILES notation for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine?
The canonical SMILES for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine is CN1CCN(S(=O)(=O)c2c(Cl)cnn2C)CC1.
What is the InChIKey of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine?
The InChIKey is LFBWERXSFAQHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O2S/c1-12-3-5-14(6-4-12)17(15,16)9-8(10)7-11-13(9)2/h7H,3-6H2,1-2H3.
What are the key properties of 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine?
1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine has a molecular weight of 278.76 g/mol, XLogP of 0.01, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-1-methylpyrazol-5-yl)sulfonyl-4-methylpiperazine is sourced from PubChem (CID 106150550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).