2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide

C12H17IN4O3 — CID 171132676

IUPAC2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
SMILESCC(C(=O)NCC(=O)N1CCOCC1)n1cc(I)cn1
InChIInChI=1S/C12H17IN4O3/c1-9(17-8-10(13)6-15-17)12(19)14-7-11(18)16-2-4-20-5-3-16/h6,8-9H,2-5,7H2,1H3,(H,14,19)
InChIKeyDUHXHNBTDQVYDK-UHFFFAOYSA-N
MW392.20 g/mol
LogP0.02
Rot. Bonds4

About 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide

2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide (PubChem CID 171132676) has the molecular formula C12H17IN4O3 and a molecular weight of 392.20 g/mol. Its IUPAC name is 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide.

Molecular Properties

Compound Name2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
PubChem CID171132676
Molecular FormulaC12H17IN4O3
Molecular Weight392.20 g/mol
Exact Mass392.03
IUPAC Name2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide
SMILESCC(C(=O)NCC(=O)N1CCOCC1)n1cc(I)cn1
InChIInChI=1S/C12H17IN4O3/c1-9(17-8-10(13)6-15-17)12(19)14-7-11(18)16-2-4-20-5-3-16/h6,8-9H,2-5,7H2,1H3,(H,14,19)
InChIKeyDUHXHNBTDQVYDK-UHFFFAOYSA-N
XLogP0.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.20
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
The IUPAC name of 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide (CID 171132676) is 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide.
What is the SMILES notation for 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
The canonical SMILES for 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide is CC(C(=O)NCC(=O)N1CCOCC1)n1cc(I)cn1.
What is the InChIKey of 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
The InChIKey is DUHXHNBTDQVYDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17IN4O3/c1-9(17-8-10(13)6-15-17)12(19)14-7-11(18)16-2-4-20-5-3-16/h6,8-9H,2-5,7H2,1H3,(H,14,19).
What are the key properties of 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide?
2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide has a molecular weight of 392.20 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodopyrazol-1-yl)-N-(2-morpholin-4-yl-2-oxoethyl)propanamide is sourced from PubChem (CID 171132676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).