2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide

C22H19N5O3 — CID 122304664

IUPAC2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C22H19N5O3/c1-16(29-18-6-3-2-4-7-18)22(28)24-17-8-10-19(11-9-17)30-21-13-12-20(25-26-21)27-15-5-14-23-27/h2-16H,1H3,(H,24,28)
InChIKeyLRRFKOSMBDYSMS-UHFFFAOYSA-N
MW401.43 g/mol
LogP3.86
Rot. Bonds7

About 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide

2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide (PubChem CID 122304664) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide.

Molecular Properties

Compound Name2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
PubChem CID122304664
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
SMILESCC(Oc1ccccc1)C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1
InChIInChI=1S/C22H19N5O3/c1-16(29-18-6-3-2-4-7-18)22(28)24-17-8-10-19(11-9-17)30-21-13-12-20(25-26-21)27-15-5-14-23-27/h2-16H,1H3,(H,24,28)
InChIKeyLRRFKOSMBDYSMS-UHFFFAOYSA-N
XLogP3.86
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304880
1-(2-fluorophenyl)-3-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]urea
CID 122304699
3-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304627
1-methyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]triazole-4-carboxamide
CID 122304842
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]cyclobutanecarboxamide
CID 122304831
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-(4-fluorophenyl)-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]acetamide
CID 122304670
N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]adamantane-1-carboxamide
CID 122304795
3-cyclopentyl-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide
CID 122304794
2-bromo-5-methoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]benzamide
CID 122304881
N-[4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]oxyphenyl]-2-phenylbutanamide
CID 122305057
2-(4-methoxyphenoxy)-N-(4-phenoxyphenyl)propanamide
CID 2952537

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The IUPAC name of 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide (CID 122304664) is 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide.
What is the SMILES notation for 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The canonical SMILES for 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide is CC(Oc1ccccc1)C(=O)Nc1ccc(Oc2ccc(-n3cccn3)nn2)cc1.
What is the InChIKey of 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
The InChIKey is LRRFKOSMBDYSMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-16(29-18-6-3-2-4-7-18)22(28)24-17-8-10-19(11-9-17)30-21-13-12-20(25-26-21)27-15-5-14-23-27/h2-16H,1H3,(H,24,28).
What are the key properties of 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide?
2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide has a molecular weight of 401.43 g/mol, XLogP of 3.86, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[4-(6-pyrazol-1-ylpyridazin-3-yl)oxyphenyl]propanamide is sourced from PubChem (CID 122304664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).