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

C24H29N7O3 — CID 46339991

IUPACN-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1
InChIInChI=1S/C24H29N7O3/c1-16-21(8-11-24(33)26-20-6-4-19(5-7-20)25-18(3)32)17(2)31(29-16)23-10-9-22(27-28-23)30-12-14-34-15-13-30/h4-7,9-10H,8,11-15H2,1-3H3,(H,25,32)(H,26,33)
InChIKeyFJCNAZXZWINCGR-UHFFFAOYSA-N
MW463.54 g/mol
LogP2.65
Rot. Bonds7

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

N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide (PubChem CID 46339991) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
PubChem CID46339991
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC NameN-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide
SMILESCC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1
InChIInChI=1S/C24H29N7O3/c1-16-21(8-11-24(33)26-20-6-4-19(5-7-20)25-18(3)32)17(2)31(29-16)23-10-9-22(27-28-23)30-12-14-34-15-13-30/h4-7,9-10H,8,11-15H2,1-3H3,(H,25,32)(H,26,33)
InChIKeyFJCNAZXZWINCGR-UHFFFAOYSA-N
XLogP2.65
TPSA114.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The IUPAC name of N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide (CID 46339991) is N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The canonical SMILES for N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide is CC(=O)Nc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCOCC4)nn3)c2C)cc1.
What is the InChIKey of N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
The InChIKey is FJCNAZXZWINCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-16-21(8-11-24(33)26-20-6-4-19(5-7-20)25-18(3)32)17(2)31(29-16)23-10-9-22(27-28-23)30-12-14-34-15-13-30/h4-7,9-10H,8,11-15H2,1-3H3,(H,25,32)(H,26,33).
What are the key properties of N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide?
N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide has a molecular weight of 463.54 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propanamide is sourced from PubChem (CID 46339991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).