(4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

C11H19N5O3S — CID 65357512

IUPAC(4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H19N5O3S/c1-3-16-10(9(12)8-13-16)11(17)14-4-6-15(7-5-14)20(2,18)19/h8H,3-7,12H2,1-2H3
InChIKeyVRDSTUCJCVJMCS-UHFFFAOYSA-N
MW301.37 g/mol
LogP-0.80
Rot. Bonds3

About (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

(4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (PubChem CID 65357512) has the molecular formula C11H19N5O3S and a molecular weight of 301.37 g/mol. Its IUPAC name is (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
PubChem CID65357512
Molecular FormulaC11H19N5O3S
Molecular Weight301.37 g/mol
Exact Mass301.12
IUPAC Name(4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone
SMILESCCn1ncc(N)c1C(=O)N1CCN(S(C)(=O)=O)CC1
InChIInChI=1S/C11H19N5O3S/c1-3-16-10(9(12)8-13-16)11(17)14-4-6-15(7-5-14)20(2,18)19/h8H,3-7,12H2,1-2H3
InChIKeyVRDSTUCJCVJMCS-UHFFFAOYSA-N
XLogP-0.80
TPSA101.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 5-0.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone (CID 65357512) is (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is CCn1ncc(N)c1C(=O)N1CCN(S(C)(=O)=O)CC1.
What is the InChIKey of (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
The InChIKey is VRDSTUCJCVJMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O3S/c1-3-16-10(9(12)8-13-16)11(17)14-4-6-15(7-5-14)20(2,18)19/h8H,3-7,12H2,1-2H3.
What are the key properties of (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone?
(4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone has a molecular weight of 301.37 g/mol, XLogP of -0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-ethylpyrazol-5-yl)-(4-methylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 65357512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).