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

C22H26N6O2 — CID 20947006

IUPAC3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide
SMILESCc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccccc1
InChIInChI=1S/C22H26N6O2/c1-16-19(8-11-22(29)23-18-6-4-3-5-7-18)17(2)28(26-16)21-10-9-20(24-25-21)27-12-14-30-15-13-27/h3-7,9-10H,8,11-15H2,1-2H3,(H,23,29)
InChIKeyWMXJQGXXJQCPGZ-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.69
Rot. Bonds6

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

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide (PubChem CID 20947006) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide
PubChem CID20947006
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide
SMILESCc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccccc1
InChIInChI=1S/C22H26N6O2/c1-16-19(8-11-22(29)23-18-6-4-3-5-7-18)17(2)28(26-16)21-10-9-20(24-25-21)27-12-14-30-15-13-27/h3-7,9-10H,8,11-15H2,1-2H3,(H,23,29)
InChIKeyWMXJQGXXJQCPGZ-UHFFFAOYSA-N
XLogP2.69
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.69
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
2,5,7-Trimethyl-6-(3-morpholin-4-yl-3-oxopropyl)-3-phenylpyrazolo[1,5-a]pyrimidine
CID 3245227
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
3-{3,5-Dimethyl-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}-1-[4-(2-fluorophenyl)piperazin-1-YL]propan-1-one
CID 16026863
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

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide (CID 20947006) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide is Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccccc1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide?
The InChIKey is WMXJQGXXJQCPGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-16-19(8-11-22(29)23-18-6-4-3-5-7-18)17(2)28(26-16)21-10-9-20(24-25-21)27-12-14-30-15-13-27/h3-7,9-10H,8,11-15H2,1-2H3,(H,23,29).
What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide?
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-phenylpropanamide has a molecular weight of 406.49 g/mol, XLogP of 2.69, 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-phenylpropanamide is sourced from PubChem (CID 20947006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).