N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide

C12H20N4O2 — CID 114143979

IUPACN-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCn1ccc(CCNC(=O)CC2COCCN2)n1
InChIInChI=1S/C12H20N4O2/c1-16-6-3-10(15-16)2-4-14-12(17)8-11-9-18-7-5-13-11/h3,6,11,13H,2,4-5,7-9H2,1H3,(H,14,17)
InChIKeyBLIRYZCFVKABCJ-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.54
Rot. Bonds5

About N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide

N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide (PubChem CID 114143979) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide.

Molecular Properties

Compound NameN-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
PubChem CID114143979
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC NameN-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide
SMILESCn1ccc(CCNC(=O)CC2COCCN2)n1
InChIInChI=1S/C12H20N4O2/c1-16-6-3-10(15-16)2-4-14-12(17)8-11-9-18-7-5-13-11/h3,6,11,13H,2,4-5,7-9H2,1H3,(H,14,17)
InChIKeyBLIRYZCFVKABCJ-UHFFFAOYSA-N
XLogP-0.54
TPSA68.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
The IUPAC name of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide (CID 114143979) is N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide.
What is the SMILES notation for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
The canonical SMILES for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide is Cn1ccc(CCNC(=O)CC2COCCN2)n1.
What is the InChIKey of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
The InChIKey is BLIRYZCFVKABCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-16-6-3-10(15-16)2-4-14-12(17)8-11-9-18-7-5-13-11/h3,6,11,13H,2,4-5,7-9H2,1H3,(H,14,17).
What are the key properties of N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide?
N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide has a molecular weight of 252.32 g/mol, XLogP of -0.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylpyrazol-3-yl)ethyl]-2-morpholin-3-ylacetamide is sourced from PubChem (CID 114143979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).