3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

C15H21N5O3S — CID 166332894

IUPAC3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCn1cc(C2CCN(S(=O)(=O)c3cnn4c3OCCC4)CC2)cn1
InChIInChI=1S/C15H21N5O3S/c1-18-11-13(9-16-18)12-3-6-19(7-4-12)24(21,22)14-10-17-20-5-2-8-23-15(14)20/h9-12H,2-8H2,1H3
InChIKeyZUYOJDWNLMHXQR-UHFFFAOYSA-N
MW351.43 g/mol
LogP0.97
Rot. Bonds3

About 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine

3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (PubChem CID 166332894) has the molecular formula C15H21N5O3S and a molecular weight of 351.43 g/mol. Its IUPAC name is 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.

Molecular Properties

Compound Name3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
PubChem CID166332894
Molecular FormulaC15H21N5O3S
Molecular Weight351.43 g/mol
Exact Mass351.14
IUPAC Name3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine
SMILESCn1cc(C2CCN(S(=O)(=O)c3cnn4c3OCCC4)CC2)cn1
InChIInChI=1S/C15H21N5O3S/c1-18-11-13(9-16-18)12-3-6-19(7-4-12)24(21,22)14-10-17-20-5-2-8-23-15(14)20/h9-12H,2-8H2,1H3
InChIKeyZUYOJDWNLMHXQR-UHFFFAOYSA-N
XLogP0.97
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The IUPAC name of 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine (CID 166332894) is 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine.
What is the SMILES notation for 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The canonical SMILES for 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is Cn1cc(C2CCN(S(=O)(=O)c3cnn4c3OCCC4)CC2)cn1.
What is the InChIKey of 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
The InChIKey is ZUYOJDWNLMHXQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O3S/c1-18-11-13(9-16-18)12-3-6-19(7-4-12)24(21,22)14-10-17-20-5-2-8-23-15(14)20/h9-12H,2-8H2,1H3.
What are the key properties of 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine?
3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine has a molecular weight of 351.43 g/mol, XLogP of 0.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-methylpyrazol-4-yl)piperidin-1-yl]sulfonyl-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine is sourced from PubChem (CID 166332894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).