(1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C10H16N4O3S — CID 51305547

IUPAC(1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C10H16N4O3S/c1-12-8-9(7-11-12)10(15)13-3-5-14(6-4-13)18(2,16)17/h7-8H,3-6H2,1-2H3
InChIKeyKEBATMUMWCXNPF-UHFFFAOYSA-N
MW272.33 g/mol
LogP-0.86
Rot. Bonds2

About (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 51305547) has the molecular formula C10H16N4O3S and a molecular weight of 272.33 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID51305547
Molecular FormulaC10H16N4O3S
Molecular Weight272.33 g/mol
Exact Mass272.09
IUPAC Name(1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1
InChIInChI=1S/C10H16N4O3S/c1-12-8-9(7-11-12)10(15)13-3-5-14(6-4-13)18(2,16)17/h7-8H,3-6H2,1-2H3
InChIKeyKEBATMUMWCXNPF-UHFFFAOYSA-N
XLogP-0.86
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 51305547) is (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is Cn1cc(C(=O)N2CCN(S(C)(=O)=O)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is KEBATMUMWCXNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3S/c1-12-8-9(7-11-12)10(15)13-3-5-14(6-4-13)18(2,16)17/h7-8H,3-6H2,1-2H3.
What are the key properties of (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 272.33 g/mol, XLogP of -0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 51305547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).