1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

C10H16N4O2S — CID 47268244

IUPAC1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C10H16N4O2S/c15-17(16,10-7-11-12-8-10)14-5-3-13(4-6-14)9-1-2-9/h7-9H,1-6H2,(H,11,12)
InChIKeyNUYGQMVLJRRCGM-UHFFFAOYSA-N
MW256.33 g/mol
LogP-0.12
Rot. Bonds3

About 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine

1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (PubChem CID 47268244) has the molecular formula C10H16N4O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
PubChem CID47268244
Molecular FormulaC10H16N4O2S
Molecular Weight256.33 g/mol
Exact Mass256.10
IUPAC Name1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESO=S(=O)(c1cn[nH]c1)N1CCN(C2CC2)CC1
InChIInChI=1S/C10H16N4O2S/c15-17(16,10-7-11-12-8-10)14-5-3-13(4-6-14)9-1-2-9/h7-9H,1-6H2,(H,11,12)
InChIKeyNUYGQMVLJRRCGM-UHFFFAOYSA-N
XLogP-0.12
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (CID 47268244) is 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is O=S(=O)(c1cn[nH]c1)N1CCN(C2CC2)CC1.
What is the InChIKey of 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The InChIKey is NUYGQMVLJRRCGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2S/c15-17(16,10-7-11-12-8-10)14-5-3-13(4-6-14)9-1-2-9/h7-9H,1-6H2,(H,11,12).
What are the key properties of 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine has a molecular weight of 256.33 g/mol, XLogP of -0.12, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 47268244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).