2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

C12H21N5O2 — CID 62100570

IUPAC2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNc1ccn(CC(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C12H21N5O2/c13-11-2-5-17(15-11)10-12(18)14-3-1-4-16-6-8-19-9-7-16/h2,5H,1,3-4,6-10H2,(H2,13,15)(H,14,18)
InChIKeyYLJFHHYFVNHHGW-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.70
Rot. Bonds6

About 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide

2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 62100570) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID62100570
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESNc1ccn(CC(=O)NCCCN2CCOCC2)n1
InChIInChI=1S/C12H21N5O2/c13-11-2-5-17(15-11)10-12(18)14-3-1-4-16-6-8-19-9-7-16/h2,5H,1,3-4,6-10H2,(H2,13,15)(H,14,18)
InChIKeyYLJFHHYFVNHHGW-UHFFFAOYSA-N
XLogP-0.70
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 62100570) is 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is Nc1ccn(CC(=O)NCCCN2CCOCC2)n1.
What is the InChIKey of 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is YLJFHHYFVNHHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c13-11-2-5-17(15-11)10-12(18)14-3-1-4-16-6-8-19-9-7-16/h2,5H,1,3-4,6-10H2,(H2,13,15)(H,14,18).
What are the key properties of 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 62100570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).