(4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

C11H18N4O3S — CID 54876916

IUPAC(4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-7-19(17,18)15-5-3-14(4-6-15)11(16)10-8-12-13-9-10/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyVQHMPEDPDJBRLW-UHFFFAOYSA-N
MW286.36 g/mol
LogP-0.09
Rot. Bonds4

About (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone

(4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (PubChem CID 54876916) has the molecular formula C11H18N4O3S and a molecular weight of 286.36 g/mol. Its IUPAC name is (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
PubChem CID54876916
Molecular FormulaC11H18N4O3S
Molecular Weight286.36 g/mol
Exact Mass286.11
IUPAC Name(4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone
SMILESCCCS(=O)(=O)N1CCN(C(=O)c2cn[nH]c2)CC1
InChIInChI=1S/C11H18N4O3S/c1-2-7-19(17,18)15-5-3-14(4-6-15)11(16)10-8-12-13-9-10/h8-9H,2-7H2,1H3,(H,12,13)
InChIKeyVQHMPEDPDJBRLW-UHFFFAOYSA-N
XLogP-0.09
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The IUPAC name of (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone (CID 54876916) is (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The canonical SMILES for (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is CCCS(=O)(=O)N1CCN(C(=O)c2cn[nH]c2)CC1.
What is the InChIKey of (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
The InChIKey is VQHMPEDPDJBRLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3S/c1-2-7-19(17,18)15-5-3-14(4-6-15)11(16)10-8-12-13-9-10/h8-9H,2-7H2,1H3,(H,12,13).
What are the key properties of (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone?
(4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone has a molecular weight of 286.36 g/mol, XLogP of -0.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propylsulfonylpiperazin-1-yl)-(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 54876916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).