1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

C15H26N4O2S — CID 3244235

IUPAC1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H26N4O2S/c1-12-15(13(2)17-16-12)22(20,21)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeySUVZUHPJRQRVNI-UHFFFAOYSA-N
MW326.47 g/mol
LogP1.67
Rot. Bonds3

About 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine

1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine (PubChem CID 3244235) has the molecular formula C15H26N4O2S and a molecular weight of 326.47 g/mol. Its IUPAC name is 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine.

Molecular Properties

Compound Name1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
PubChem CID3244235
Molecular FormulaC15H26N4O2S
Molecular Weight326.47 g/mol
Exact Mass326.18
IUPAC Name1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine
SMILESCc1n[nH]c(C)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1
InChIInChI=1S/C15H26N4O2S/c1-12-15(13(2)17-16-12)22(20,21)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,16,17)
InChIKeySUVZUHPJRQRVNI-UHFFFAOYSA-N
XLogP1.67
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.47
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The IUPAC name of 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine (CID 3244235) is 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine.
What is the SMILES notation for 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The canonical SMILES for 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine is Cc1n[nH]c(C)c1S(=O)(=O)N1CCN(C2CCCCC2)CC1.
What is the InChIKey of 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
The InChIKey is SUVZUHPJRQRVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2S/c1-12-15(13(2)17-16-12)22(20,21)19-10-8-18(9-11-19)14-6-4-3-5-7-14/h14H,3-11H2,1-2H3,(H,16,17).
What are the key properties of 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine?
1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine has a molecular weight of 326.47 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]piperazine is sourced from PubChem (CID 3244235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).