5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide

C21H20N6O3 — CID 47056329

IUPAC5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cc(-c3ccccc3)no2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C21H20N6O3/c1-3-18-16(13-23-27(18)19-9-10-20(29-2)25-24-19)21(28)22-12-15-11-17(26-30-15)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,22,28)
InChIKeyFKXWWOXFOXFDRO-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.82
Rot. Bonds7

About 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide

5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide (PubChem CID 47056329) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
PubChem CID47056329
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide
SMILESCCc1c(C(=O)NCc2cc(-c3ccccc3)no2)cnn1-c1ccc(OC)nn1
InChIInChI=1S/C21H20N6O3/c1-3-18-16(13-23-27(18)19-9-10-20(29-2)25-24-19)21(28)22-12-15-11-17(26-30-15)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,22,28)
InChIKeyFKXWWOXFOXFDRO-UHFFFAOYSA-N
XLogP2.82
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide (CID 47056329) is 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is CCc1c(C(=O)NCc2cc(-c3ccccc3)no2)cnn1-c1ccc(OC)nn1.
What is the InChIKey of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is FKXWWOXFOXFDRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c1-3-18-16(13-23-27(18)19-9-10-20(29-2)25-24-19)21(28)22-12-15-11-17(26-30-15)14-7-5-4-6-8-14/h4-11,13H,3,12H2,1-2H3,(H,22,28).
What are the key properties of 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide?
5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 404.43 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(6-methoxypyridazin-3-yl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 47056329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).