morpholin-4-yl(1H-pyrazol-4-yl)methanone

C8H11N3O2 — CID 20784942

IUPACmorpholin-4-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-8(7-5-9-10-6-7)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10)
InChIKeyBSUUYSUZYIKWRR-UHFFFAOYSA-N
MW181.19 g/mol
LogP-0.12
Rot. Bonds1

About morpholin-4-yl(1H-pyrazol-4-yl)methanone

morpholin-4-yl(1H-pyrazol-4-yl)methanone (PubChem CID 20784942) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is morpholin-4-yl(1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl(1H-pyrazol-4-yl)methanone
PubChem CID20784942
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Namemorpholin-4-yl(1H-pyrazol-4-yl)methanone
SMILESO=C(c1cn[nH]c1)N1CCOCC1
InChIInChI=1S/C8H11N3O2/c12-8(7-5-9-10-6-7)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10)
InChIKeyBSUUYSUZYIKWRR-UHFFFAOYSA-N
XLogP-0.12
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 5-0.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl(1H-pyrazol-4-yl)methanone?
The IUPAC name of morpholin-4-yl(1H-pyrazol-4-yl)methanone (CID 20784942) is morpholin-4-yl(1H-pyrazol-4-yl)methanone.
What is the SMILES notation for morpholin-4-yl(1H-pyrazol-4-yl)methanone?
The canonical SMILES for morpholin-4-yl(1H-pyrazol-4-yl)methanone is O=C(c1cn[nH]c1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl(1H-pyrazol-4-yl)methanone?
The InChIKey is BSUUYSUZYIKWRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c12-8(7-5-9-10-6-7)11-1-3-13-4-2-11/h5-6H,1-4H2,(H,9,10).
What are the key properties of morpholin-4-yl(1H-pyrazol-4-yl)methanone?
morpholin-4-yl(1H-pyrazol-4-yl)methanone has a molecular weight of 181.19 g/mol, XLogP of -0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl(1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 20784942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).