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

C22H25FN6O2 — CID 20946969

IUPAC3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
SMILESCc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H25FN6O2/c1-15-19(7-10-22(30)24-18-5-3-17(23)4-6-18)16(2)29(27-15)21-9-8-20(25-26-21)28-11-13-31-14-12-28/h3-6,8-9H,7,10-14H2,1-2H3,(H,24,30)
InChIKeyBPHNDWHYOQJMSZ-UHFFFAOYSA-N
MW424.48 g/mol
LogP2.83
Rot. Bonds6

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

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide (PubChem CID 20946969) has the molecular formula C22H25FN6O2 and a molecular weight of 424.48 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
PubChem CID20946969
Molecular FormulaC22H25FN6O2
Molecular Weight424.48 g/mol
Exact Mass424.20
IUPAC Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide
SMILESCc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)cc1
InChIInChI=1S/C22H25FN6O2/c1-15-19(7-10-22(30)24-18-5-3-17(23)4-6-18)16(2)29(27-15)21-9-8-20(25-26-21)28-11-13-31-14-12-28/h3-6,8-9H,7,10-14H2,1-2H3,(H,24,30)
InChIKeyBPHNDWHYOQJMSZ-UHFFFAOYSA-N
XLogP2.83
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 52.83
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
N-(3-Chloro-4-fluorophenyl)-3-{3,5-dimethyl-1-[6-(pyrrolidin-1-YL)pyridazin-3-YL]-1H-pyrazol-4-YL}propanamide
CID 16026859
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
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-(4-fluorophenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide (CID 20946969) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide is Cc1nn(-c2ccc(N3CCOCC3)nn2)c(C)c1CCC(=O)Nc1ccc(F)cc1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide?
The InChIKey is BPHNDWHYOQJMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN6O2/c1-15-19(7-10-22(30)24-18-5-3-17(23)4-6-18)16(2)29(27-15)21-9-8-20(25-26-21)28-11-13-31-14-12-28/h3-6,8-9H,7,10-14H2,1-2H3,(H,24,30).
What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide?
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-fluorophenyl)propanamide has a molecular weight of 424.48 g/mol, XLogP of 2.83, 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-(4-fluorophenyl)propanamide is sourced from PubChem (CID 20946969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).