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

C24H30N6O2 — CID 20946980

IUPAC3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1C
InChIInChI=1S/C24H30N6O2/c1-16-5-6-20(15-17(16)2)25-24(31)10-7-21-18(3)28-30(19(21)4)23-9-8-22(26-27-23)29-11-13-32-14-12-29/h5-6,8-9,15H,7,10-14H2,1-4H3,(H,25,31)
InChIKeyKUUYYNKNFMRSIJ-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-(3,4-dimethylphenyl)propanamide

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide (PubChem CID 20946980) 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-(3,4-dimethylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide
PubChem CID20946980
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-(3,4-dimethylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1C
InChIInChI=1S/C24H30N6O2/c1-16-5-6-20(15-17(16)2)25-24(31)10-7-21-18(3)28-30(19(21)4)23-9-8-22(26-27-23)29-11-13-32-14-12-29/h5-6,8-9,15H,7,10-14H2,1-4H3,(H,25,31)
InChIKeyKUUYYNKNFMRSIJ-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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Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide (CID 20946980) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide is Cc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide?
The InChIKey is KUUYYNKNFMRSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16-5-6-20(15-17(16)2)25-24(31)10-7-21-18(3)28-30(19(21)4)23-9-8-22(26-27-23)29-11-13-32-14-12-29/h5-6,8-9,15H,7,10-14H2,1-4H3,(H,25,31).
What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl)propanamide?
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(3,4-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-(3,4-dimethylphenyl)propanamide is sourced from PubChem (CID 20946980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).