N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide

C16H26N4O3 — CID 90607429

IUPACN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C16H26N4O3/c21-16(14-19-5-1-4-17-19)20(15-2-10-22-11-3-15)7-6-18-8-12-23-13-9-18/h1,4-5,15H,2-3,6-14H2
InChIKeyDUUBUOLZTSMXSI-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.22
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide

N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide (PubChem CID 90607429) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide
PubChem CID90607429
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC NameN-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide
SMILESO=C(Cn1cccn1)N(CCN1CCOCC1)C1CCOCC1
InChIInChI=1S/C16H26N4O3/c21-16(14-19-5-1-4-17-19)20(15-2-10-22-11-3-15)7-6-18-8-12-23-13-9-18/h1,4-5,15H,2-3,6-14H2
InChIKeyDUUBUOLZTSMXSI-UHFFFAOYSA-N
XLogP0.22
TPSA59.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide (CID 90607429) is N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide is O=C(Cn1cccn1)N(CCN1CCOCC1)C1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide?
The InChIKey is DUUBUOLZTSMXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c21-16(14-19-5-1-4-17-19)20(15-2-10-22-11-3-15)7-6-18-8-12-23-13-9-18/h1,4-5,15H,2-3,6-14H2.
What are the key properties of N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide?
N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide has a molecular weight of 322.41 g/mol, XLogP of 0.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-N-(oxan-4-yl)-2-pyrazol-1-ylacetamide is sourced from PubChem (CID 90607429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).