N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide

C19H26N4O2 — CID 71917976

IUPACN-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCCC(NC(=O)Cc1ccn[nH]1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H26N4O2/c1-2-17(21-19(24)12-16-8-9-20-22-16)18-14-23(10-11-25-18)13-15-6-4-3-5-7-15/h3-9,17-18H,2,10-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyJEJTZZCBTHERET-UHFFFAOYSA-N
MW342.44 g/mol
LogP1.75
Rot. Bonds7

About N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide

N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide (PubChem CID 71917976) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
PubChem CID71917976
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC NameN-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide
SMILESCCC(NC(=O)Cc1ccn[nH]1)C1CN(Cc2ccccc2)CCO1
InChIInChI=1S/C19H26N4O2/c1-2-17(21-19(24)12-16-8-9-20-22-16)18-14-23(10-11-25-18)13-15-6-4-3-5-7-15/h3-9,17-18H,2,10-14H2,1H3,(H,20,22)(H,21,24)
InChIKeyJEJTZZCBTHERET-UHFFFAOYSA-N
XLogP1.75
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide?
The IUPAC name of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide (CID 71917976) is N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide.
What is the SMILES notation for N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide?
The canonical SMILES for N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide is CCC(NC(=O)Cc1ccn[nH]1)C1CN(Cc2ccccc2)CCO1.
What is the InChIKey of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide?
The InChIKey is JEJTZZCBTHERET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-17(21-19(24)12-16-8-9-20-22-16)18-14-23(10-11-25-18)13-15-6-4-3-5-7-15/h3-9,17-18H,2,10-14H2,1H3,(H,20,22)(H,21,24).
What are the key properties of N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide?
N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide has a molecular weight of 342.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylmorpholin-2-yl)propyl]-2-(1H-pyrazol-5-yl)acetamide is sourced from PubChem (CID 71917976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).