2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide

C18H18ClN5O3 — CID 56765806

IUPAC2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C18H18ClN5O3/c1-13(27-15-6-3-2-5-14(15)19)18(26)20-10-12-24-17(25)8-7-16(22-24)23-11-4-9-21-23/h2-9,11,13H,10,12H2,1H3,(H,20,26)
InChIKeyKVRDCQIERCSLNY-UHFFFAOYSA-N
MW387.83 g/mol
LogP1.67
Rot. Bonds7

About 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide

2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide (PubChem CID 56765806) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide.

Molecular Properties

Compound Name2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
PubChem CID56765806
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide
SMILESCC(Oc1ccccc1Cl)C(=O)NCCn1nc(-n2cccn2)ccc1=O
InChIInChI=1S/C18H18ClN5O3/c1-13(27-15-6-3-2-5-14(15)19)18(26)20-10-12-24-17(25)8-7-16(22-24)23-11-4-9-21-23/h2-9,11,13H,10,12H2,1H3,(H,20,26)
InChIKeyKVRDCQIERCSLNY-UHFFFAOYSA-N
XLogP1.67
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
The IUPAC name of 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide (CID 56765806) is 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide.
What is the SMILES notation for 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
The canonical SMILES for 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide is CC(Oc1ccccc1Cl)C(=O)NCCn1nc(-n2cccn2)ccc1=O.
What is the InChIKey of 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
The InChIKey is KVRDCQIERCSLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-13(27-15-6-3-2-5-14(15)19)18(26)20-10-12-24-17(25)8-7-16(22-24)23-11-4-9-21-23/h2-9,11,13H,10,12H2,1H3,(H,20,26).
What are the key properties of 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide?
2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide has a molecular weight of 387.83 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenoxy)-N-[2-(6-oxo-3-pyrazol-1-ylpyridazin-1-yl)ethyl]propanamide is sourced from PubChem (CID 56765806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).