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

C25H32N6O2 — CID 20946912

IUPAC3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1
InChIInChI=1S/C25H32N6O2/c1-4-33-21-10-8-20(9-11-21)26-25(32)15-12-22-18(2)29-31(19(22)3)24-14-13-23(27-28-24)30-16-6-5-7-17-30/h8-11,13-14H,4-7,12,15-17H2,1-3H3,(H,26,32)
InChIKeyIYVFNCXLSBIZBV-UHFFFAOYSA-N
MW448.57 g/mol
LogP4.24
Rot. Bonds8

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

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide (PubChem CID 20946912) has the molecular formula C25H32N6O2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide
PubChem CID20946912
Molecular FormulaC25H32N6O2
Molecular Weight448.57 g/mol
Exact Mass448.26
IUPAC Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide
SMILESCCOc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1
InChIInChI=1S/C25H32N6O2/c1-4-33-21-10-8-20(9-11-21)26-25(32)15-12-22-18(2)29-31(19(22)3)24-14-13-23(27-28-24)30-16-6-5-7-17-30/h8-11,13-14H,4-7,12,15-17H2,1-3H3,(H,26,32)
InChIKeyIYVFNCXLSBIZBV-UHFFFAOYSA-N
XLogP4.24
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.24
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-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide (CID 20946912) is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide is CCOc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide?
The InChIKey is IYVFNCXLSBIZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O2/c1-4-33-21-10-8-20(9-11-21)26-25(32)15-12-22-18(2)29-31(19(22)3)24-14-13-23(27-28-24)30-16-6-5-7-17-30/h8-11,13-14H,4-7,12,15-17H2,1-3H3,(H,26,32).
What are the key properties of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide?
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide has a molecular weight of 448.57 g/mol, XLogP of 4.24, 8 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-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide is sourced from PubChem (CID 20946912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).