3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide

C24H30N6O2 — CID 20946983

IUPAC3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)c1
InChIInChI=1S/C24H30N6O2/c1-16-13-17(2)15-20(14-16)25-24(31)8-5-21-18(3)28-30(19(21)4)23-7-6-22(26-27-23)29-9-11-32-12-10-29/h6-7,13-15H,5,8-12H2,1-4H3,(H,25,31)
InChIKeyCRZVWYCVYMHWCE-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.30
Rot. Bonds6

About 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide (PubChem CID 20946983) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
PubChem CID20946983
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide
SMILESCc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)c1
InChIInChI=1S/C24H30N6O2/c1-16-13-17(2)15-20(14-16)25-24(31)8-5-21-18(3)28-30(19(21)4)23-7-6-22(26-27-23)29-9-11-32-12-10-29/h6-7,13-15H,5,8-12H2,1-4H3,(H,25,31)
InChIKeyCRZVWYCVYMHWCE-UHFFFAOYSA-N
XLogP3.30
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-{3,5-Dimethyl-1-[6-(piperidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(4-ethylphenyl)propanamide
CID 20946905
1-(1-(2-methoxyethyl)-3-(m-tolylamino)-6,7-dihydro-1H-pyrazolo[4,3-c]pyridin-5(4H)-yl)ethanone
CID 121373220
3-{3,5-Dimethyl-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-1-[4-(2,5-dimethylphenyl)piperazin-1-YL]propan-1-one
CID 16026831
N-(2,4-Difluorophenyl)-3-{3,5-dimethyl-1-[6-(piperidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16026903
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluorophenyl)propanamide
CID 16026922
3-[3,5-dimethyl-1-[6-(1-piperidinyl)-3-pyridazinyl]-4-pyrazolyl]-N-(3-fluoro-4-methylphenyl)propanamide
CID 16026931
N-(4-acetylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
CID 16026957
N-(2,4-Difluorophenyl)-3-{3,5-dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16026995
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-[(4-methylphenyl)methyl]propanamide
CID 16027020
3-[3,5-dimethyl-1-(6-morpholino-3-pyridazinyl)-1H-pyrazol-4-yl]-N-(4-fluorobenzyl)propanamide
CID 16027026
3-{3,5-Dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-N-(3-fluoro-4-methylphenyl)propanamide
CID 16027044
N-(4-Acetylphenyl)-3-{3,5-dimethyl-1-[6-(morpholin-4-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16027052

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide (CID 20946983) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide is Cc1cc(C)cc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)c1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
The InChIKey is CRZVWYCVYMHWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-13-17(2)15-20(14-16)25-24(31)8-5-21-18(3)28-30(19(21)4)23-7-6-22(26-27-23)29-9-11-32-12-10-29/h6-7,13-15H,5,8-12H2,1-4H3,(H,25,31).
What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide?
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide has a molecular weight of 434.54 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,5-dimethylphenyl)propanamide is sourced from PubChem (CID 20946983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).