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

C10H18N4O2S — CID 47267363

IUPAC1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCCCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H18N4O2S/c1-2-3-13-4-6-14(7-5-13)17(15,16)10-8-11-12-9-10/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyGNUKDVIEZRFUJO-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.13
Rot. Bonds4

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

1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (PubChem CID 47267363) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.

Molecular Properties

Compound Name1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
PubChem CID47267363
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine
SMILESCCCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C10H18N4O2S/c1-2-3-13-4-6-14(7-5-13)17(15,16)10-8-11-12-9-10/h8-9H,2-7H2,1H3,(H,11,12)
InChIKeyGNUKDVIEZRFUJO-UHFFFAOYSA-N
XLogP0.13
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The IUPAC name of 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine (CID 47267363) is 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine.
What is the SMILES notation for 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The canonical SMILES for 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is CCCN1CCN(S(=O)(=O)c2cn[nH]c2)CC1.
What is the InChIKey of 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
The InChIKey is GNUKDVIEZRFUJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-2-3-13-4-6-14(7-5-13)17(15,16)10-8-11-12-9-10/h8-9H,2-7H2,1H3,(H,11,12).
What are the key properties of 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine?
1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine has a molecular weight of 258.35 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-4-(1H-pyrazol-4-ylsulfonyl)piperazine is sourced from PubChem (CID 47267363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).