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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Related Compounds

4-methoxy-N-(1-{1-[(5-propyl-3-isoxazolyl)carbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24790706
N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24980539
1-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-3-phenylpyrazole-5-carboxamide
CID 24982499
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-6-methoxy-2-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 11567592
6-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-N-(1-methyl-1H-pyrazol-3-yl)-nicotinamide
CID 42629933
4-N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]pyrimidine-2,4-diamine
CID 59758109
4-methoxy-N-(1-{1-[(5-methyl-3-isoxazolyl)carbonyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24818960
5-(3-methoxyphenyl)-N-[1-(4-methylbenzyl)-1H-pyrazol-3-yl]isoxazole-3-carboxamide
CID 15988719
N-[(2-methoxyphenyl)methyl]-1-[(3-methyl-1,2-oxazol-5-yl)methyl]-5-phenylpyrazole-3-carboxamide
CID 24980583
US20230286943, Example 48
CID 162362322
US20230286943, Example 37
CID 163699537
5-ethyl-N-(4-ethylphenyl)-1-(6-methoxypyridazin-3-yl)pyrazole-4-carboxamide
CID 31901378

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).