3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide

C23H28N6O2 — CID 20946999

IUPAC3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C
InChIInChI=1S/C23H28N6O2/c1-16-6-4-5-7-20(16)24-23(30)11-8-19-17(2)27-29(18(19)3)22-10-9-21(25-26-22)28-12-14-31-15-13-28/h4-7,9-10H,8,11-15H2,1-3H3,(H,24,30)
InChIKeyDYFRNCBOBPFGDM-UHFFFAOYSA-N
MW420.52 g/mol
LogP3.00
Rot. Bonds6

About 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide (PubChem CID 20946999) has the molecular formula C23H28N6O2 and a molecular weight of 420.52 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide
PubChem CID20946999
Molecular FormulaC23H28N6O2
Molecular Weight420.52 g/mol
Exact Mass420.23
IUPAC Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide
SMILESCc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C
InChIInChI=1S/C23H28N6O2/c1-16-6-4-5-7-20(16)24-23(30)11-8-19-17(2)27-29(18(19)3)22-10-9-21(25-26-22)28-12-14-31-15-13-28/h4-7,9-10H,8,11-15H2,1-3H3,(H,24,30)
InChIKeyDYFRNCBOBPFGDM-UHFFFAOYSA-N
XLogP3.00
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.52
LogP ≤ 53.00
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-(3-Tert-butyl-1-(3-(2-morpholino-2-oxoethyl)phenyl)-1h-pyrazol-5-yl)-3-(naphthalen-1-yl)urea
CID 21867339
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
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-(2-methylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide (CID 20946999) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide is Cc1ccccc1NC(=O)CCc1c(C)nn(-c2ccc(N3CCOCC3)nn2)c1C.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide?
The InChIKey is DYFRNCBOBPFGDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O2/c1-16-6-4-5-7-20(16)24-23(30)11-8-19-17(2)27-29(18(19)3)22-10-9-21(25-26-22)28-12-14-31-15-13-28/h4-7,9-10H,8,11-15H2,1-3H3,(H,24,30).
What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide?
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]-N-(2-methylphenyl)propanamide has a molecular weight of 420.52 g/mol, XLogP of 3.00, 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-(2-methylphenyl)propanamide is sourced from PubChem (CID 20946999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).