(1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

C13H21N5O4S — CID 36576640

IUPAC(1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1
InChIInChI=1S/C13H21N5O4S/c1-15-11-12(10-14-15)13(19)16-2-4-17(5-3-16)23(20,21)18-6-8-22-9-7-18/h10-11H,2-9H2,1H3
InChIKeyFXPZSQGSCMLSOQ-UHFFFAOYSA-N
MW343.41 g/mol
LogP-1.25
Rot. Bonds3

About (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone

(1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (PubChem CID 36576640) has the molecular formula C13H21N5O4S and a molecular weight of 343.41 g/mol. Its IUPAC name is (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
PubChem CID36576640
Molecular FormulaC13H21N5O4S
Molecular Weight343.41 g/mol
Exact Mass343.13
IUPAC Name(1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone
SMILESCn1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1
InChIInChI=1S/C13H21N5O4S/c1-15-11-12(10-14-15)13(19)16-2-4-17(5-3-16)23(20,21)18-6-8-22-9-7-18/h10-11H,2-9H2,1H3
InChIKeyFXPZSQGSCMLSOQ-UHFFFAOYSA-N
XLogP-1.25
TPSA87.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 5-1.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The IUPAC name of (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone (CID 36576640) is (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone.
What is the SMILES notation for (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The canonical SMILES for (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is Cn1cc(C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1.
What is the InChIKey of (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
The InChIKey is FXPZSQGSCMLSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O4S/c1-15-11-12(10-14-15)13(19)16-2-4-17(5-3-16)23(20,21)18-6-8-22-9-7-18/h10-11H,2-9H2,1H3.
What are the key properties of (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone?
(1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone has a molecular weight of 343.41 g/mol, XLogP of -1.25, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpyrazol-4-yl)-(4-morpholin-4-ylsulfonylpiperazin-1-yl)methanone is sourced from PubChem (CID 36576640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).