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

C12H19ClN4O2 — CID 19524869

IUPAC2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCCN1CCOCC1
InChIInChI=1S/C12H19ClN4O2/c13-11-8-15-17(9-11)10-12(18)14-2-1-3-16-4-6-19-7-5-16/h8-9H,1-7,10H2,(H,14,18)
InChIKeyCTYKEJBGKDGSTG-UHFFFAOYSA-N
MW286.76 g/mol
LogP0.38
Rot. Bonds6

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

2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (PubChem CID 19524869) has the molecular formula C12H19ClN4O2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
PubChem CID19524869
Molecular FormulaC12H19ClN4O2
Molecular Weight286.76 g/mol
Exact Mass286.12
IUPAC Name2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
SMILESO=C(Cn1cc(Cl)cn1)NCCCN1CCOCC1
InChIInChI=1S/C12H19ClN4O2/c13-11-8-15-17(9-11)10-12(18)14-2-1-3-16-4-6-19-7-5-16/h8-9H,1-7,10H2,(H,14,18)
InChIKeyCTYKEJBGKDGSTG-UHFFFAOYSA-N
XLogP0.38
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide (CID 19524869) is 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is O=C(Cn1cc(Cl)cn1)NCCCN1CCOCC1.
What is the InChIKey of 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
The InChIKey is CTYKEJBGKDGSTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O2/c13-11-8-15-17(9-11)10-12(18)14-2-1-3-16-4-6-19-7-5-16/h8-9H,1-7,10H2,(H,14,18).
What are the key properties of 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide?
2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide has a molecular weight of 286.76 g/mol, XLogP of 0.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloropyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 19524869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).