2-morpholin-4-yl-1H-pyrazol-5-one

C7H11N3O2 — CID 141075729

IUPAC2-morpholin-4-yl-1H-pyrazol-5-one
SMILESO=c1ccn(N2CCOCC2)[nH]1
InChIInChI=1S/C7H11N3O2/c11-7-1-2-10(8-7)9-3-5-12-6-4-9/h1-2H,3-6H2,(H,8,11)
InChIKeyGPNAVMVZNNNCSH-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.86
Rot. Bonds1

About 2-morpholin-4-yl-1H-pyrazol-5-one

2-morpholin-4-yl-1H-pyrazol-5-one (PubChem CID 141075729) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 2-morpholin-4-yl-1H-pyrazol-5-one.

Molecular Properties

Compound Name2-morpholin-4-yl-1H-pyrazol-5-one
PubChem CID141075729
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name2-morpholin-4-yl-1H-pyrazol-5-one
SMILESO=c1ccn(N2CCOCC2)[nH]1
InChIInChI=1S/C7H11N3O2/c11-7-1-2-10(8-7)9-3-5-12-6-4-9/h1-2H,3-6H2,(H,8,11)
InChIKeyGPNAVMVZNNNCSH-UHFFFAOYSA-N
XLogP-0.86
TPSA50.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-1H-pyrazol-5-one?
The IUPAC name of 2-morpholin-4-yl-1H-pyrazol-5-one (CID 141075729) is 2-morpholin-4-yl-1H-pyrazol-5-one.
What is the SMILES notation for 2-morpholin-4-yl-1H-pyrazol-5-one?
The canonical SMILES for 2-morpholin-4-yl-1H-pyrazol-5-one is O=c1ccn(N2CCOCC2)[nH]1.
What is the InChIKey of 2-morpholin-4-yl-1H-pyrazol-5-one?
The InChIKey is GPNAVMVZNNNCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c11-7-1-2-10(8-7)9-3-5-12-6-4-9/h1-2H,3-6H2,(H,8,11).
What are the key properties of 2-morpholin-4-yl-1H-pyrazol-5-one?
2-morpholin-4-yl-1H-pyrazol-5-one has a molecular weight of 169.18 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-1H-pyrazol-5-one is sourced from PubChem (CID 141075729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).