4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one

C7H11N5O3S — CID 60814377

IUPAC4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
SMILESNc1[nH]ncc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H11N5O3S/c8-7-5(3-10-11-7)16(14,15)12-2-1-9-6(13)4-12/h3H,1-2,4H2,(H,9,13)(H3,8,10,11)
InChIKeyJRJRUDGIFOAKMW-UHFFFAOYSA-N
MW245.26 g/mol
LogP-1.89
Rot. Bonds2

About 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one

4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one (PubChem CID 60814377) has the molecular formula C7H11N5O3S and a molecular weight of 245.26 g/mol. Its IUPAC name is 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one.

Molecular Properties

Compound Name4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
PubChem CID60814377
Molecular FormulaC7H11N5O3S
Molecular Weight245.26 g/mol
Exact Mass245.06
IUPAC Name4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one
SMILESNc1[nH]ncc1S(=O)(=O)N1CCNC(=O)C1
InChIInChI=1S/C7H11N5O3S/c8-7-5(3-10-11-7)16(14,15)12-2-1-9-6(13)4-12/h3H,1-2,4H2,(H,9,13)(H3,8,10,11)
InChIKeyJRJRUDGIFOAKMW-UHFFFAOYSA-N
XLogP-1.89
TPSA121.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.26
LogP ≤ 5-1.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazine-1-sulfonamide
CID 61126234
4-(1H-pyrazol-4-ylsulfonyl)piperazin-2-one
CID 47265881
4-(1,4-thiazepan-4-ylsulfonyl)-1H-pyrazol-5-amine
CID 61419062
1-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-4-methylpiperidin-4-ol
CID 81096526
4-[(2-amino-5-bromo-3-pyridinyl)sulfonyl]piperazin-2-one
CID 62143361
4-(4-aminophenyl)sulfonylpiperazin-2-one
CID 16783955
4-(2-amino-5-bromophenyl)sulfonylpiperazin-2-one
CID 54888933
4-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-ylsulfonyl)-1H-pyrazol-5-amine
CID 63151051
4-(4-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 43255788
4-(5-amino-2-bromophenyl)sulfonylpiperazin-2-one
CID 65202086
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]-3-ethylpiperazine-2,6-dione
CID 66067321
4-(3-amino-2-bromo-5-chlorophenyl)sulfonylpiperazin-2-one
CID 55152526

Frequently Asked Questions

What is the IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
The IUPAC name of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one (CID 60814377) is 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one.
What is the SMILES notation for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
The canonical SMILES for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one is Nc1[nH]ncc1S(=O)(=O)N1CCNC(=O)C1.
What is the InChIKey of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
The InChIKey is JRJRUDGIFOAKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3S/c8-7-5(3-10-11-7)16(14,15)12-2-1-9-6(13)4-12/h3H,1-2,4H2,(H,9,13)(H3,8,10,11).
What are the key properties of 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one?
4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one has a molecular weight of 245.26 g/mol, XLogP of -1.89, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-amino-1H-pyrazol-4-yl)sulfonyl]piperazin-2-one is sourced from PubChem (CID 60814377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).