1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine

C11H20N4O2S — CID 47268141

IUPAC1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H20N4O2S/c1-10(2)9-14-3-5-15(6-4-14)18(16,17)11-7-12-13-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyBQGMJWWWYVLRJZ-UHFFFAOYSA-N
MW272.37 g/mol
LogP0.37
Rot. Bonds4

About 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine

1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine (PubChem CID 47268141) has the molecular formula C11H20N4O2S and a molecular weight of 272.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
PubChem CID47268141
Molecular FormulaC11H20N4O2S
Molecular Weight272.37 g/mol
Exact Mass272.13
IUPAC Name1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCC(C)CN1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H20N4O2S/c1-10(2)9-14-3-5-15(6-4-14)18(16,17)11-7-12-13-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,12,13)
InChIKeyBQGMJWWWYVLRJZ-UHFFFAOYSA-N
XLogP0.37
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.37
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine (CID 47268141) is 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine is CC(C)CN1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The InChIKey is BQGMJWWWYVLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2S/c1-10(2)9-14-3-5-15(6-4-14)18(16,17)11-7-12-13-8-11/h7-8,10H,3-6,9H2,1-2H3,(H,12,13).
What are the key properties of 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine has a molecular weight of 272.37 g/mol, XLogP of 0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-(1H-pyrazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 47268141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).