1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one

C15H26N4O2 — CID 56861184

IUPAC1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCN(C)CCC1CN(C(=O)CCCc2cn[nH]c2)CCO1
InChIInChI=1S/C15H26N4O2/c1-18(2)7-6-14-12-19(8-9-21-14)15(20)5-3-4-13-10-16-17-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,16,17)
InChIKeyUWUHLLGTFCQANM-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.91
Rot. Bonds7

About 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one

1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one (PubChem CID 56861184) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
PubChem CID56861184
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one
SMILESCN(C)CCC1CN(C(=O)CCCc2cn[nH]c2)CCO1
InChIInChI=1S/C15H26N4O2/c1-18(2)7-6-14-12-19(8-9-21-14)15(20)5-3-4-13-10-16-17-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,16,17)
InChIKeyUWUHLLGTFCQANM-UHFFFAOYSA-N
XLogP0.91
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The IUPAC name of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one (CID 56861184) is 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one is CN(C)CCC1CN(C(=O)CCCc2cn[nH]c2)CCO1.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
The InChIKey is UWUHLLGTFCQANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-18(2)7-6-14-12-19(8-9-21-14)15(20)5-3-4-13-10-16-17-11-13/h10-11,14H,3-9,12H2,1-2H3,(H,16,17).
What are the key properties of 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one?
1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one has a molecular weight of 294.40 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethyl]morpholin-4-yl]-4-(1H-pyrazol-4-yl)butan-1-one is sourced from PubChem (CID 56861184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).