1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide

C7H13BrN4O2S — CID 86775471

IUPAC1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide
SMILESBr.O=S(=O)(c1ccn[nH]1)N1CCNCC1
InChIInChI=1S/C7H12N4O2S.BrH/c12-14(13,7-1-2-9-10-7)11-5-3-8-4-6-11;/h1-2,8H,3-6H2,(H,9,10);1H
InChIKeyHVTZNITYOVLCKH-UHFFFAOYSA-N
MW297.18 g/mol
LogP-0.42
Rot. Bonds2

About 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide

1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide (PubChem CID 86775471) has the molecular formula C7H13BrN4O2S and a molecular weight of 297.18 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide
PubChem CID86775471
Molecular FormulaC7H13BrN4O2S
Molecular Weight297.18 g/mol
Exact Mass295.99
IUPAC Name1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide
SMILESBr.O=S(=O)(c1ccn[nH]1)N1CCNCC1
InChIInChI=1S/C7H12N4O2S.BrH/c12-14(13,7-1-2-9-10-7)11-5-3-8-4-6-11;/h1-2,8H,3-6H2,(H,9,10);1H
InChIKeyHVTZNITYOVLCKH-UHFFFAOYSA-N
XLogP-0.42
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.18
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 107492794
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CID 107493860

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide?
The IUPAC name of 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide (CID 86775471) is 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide.
What is the SMILES notation for 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide?
The canonical SMILES for 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide is Br.O=S(=O)(c1ccn[nH]1)N1CCNCC1.
What is the InChIKey of 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide?
The InChIKey is HVTZNITYOVLCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2S.BrH/c12-14(13,7-1-2-9-10-7)11-5-3-8-4-6-11;/h1-2,8H,3-6H2,(H,9,10);1H.
What are the key properties of 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide?
1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide has a molecular weight of 297.18 g/mol, XLogP of -0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylsulfonyl)piperazine;hydrobromide is sourced from PubChem (CID 86775471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).