1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine

C12H22N4O2S — CID 6466875

IUPAC1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2cn(C)nc2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-4-5-15-6-8-16(9-7-15)19(17,18)12-10-14(3)13-11(12)2/h10H,4-9H2,1-3H3
InChIKeyYEGSINIBIODSCL-UHFFFAOYSA-N
MW286.40 g/mol
LogP0.44
Rot. Bonds4

About 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine

1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine (PubChem CID 6466875) has the molecular formula C12H22N4O2S and a molecular weight of 286.40 g/mol. Its IUPAC name is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine.

Molecular Properties

Compound Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
PubChem CID6466875
Molecular FormulaC12H22N4O2S
Molecular Weight286.40 g/mol
Exact Mass286.15
IUPAC Name1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine
SMILESCCCN1CCN(S(=O)(=O)c2cn(C)nc2C)CC1
InChIInChI=1S/C12H22N4O2S/c1-4-5-15-6-8-16(9-7-15)19(17,18)12-10-14(3)13-11(12)2/h10H,4-9H2,1-3H3
InChIKeyYEGSINIBIODSCL-UHFFFAOYSA-N
XLogP0.44
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.40
LogP ≤ 50.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine?
The IUPAC name of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine (CID 6466875) is 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine.
What is the SMILES notation for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine?
The canonical SMILES for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine is CCCN1CCN(S(=O)(=O)c2cn(C)nc2C)CC1.
What is the InChIKey of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine?
The InChIKey is YEGSINIBIODSCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2S/c1-4-5-15-6-8-16(9-7-15)19(17,18)12-10-14(3)13-11(12)2/h10H,4-9H2,1-3H3.
What are the key properties of 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine?
1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine has a molecular weight of 286.40 g/mol, XLogP of 0.44, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dimethylpyrazol-4-yl)sulfonyl-4-propylpiperazine is sourced from PubChem (CID 6466875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).