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

C25H32N6O — CID 20946905

IUPAC3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1
InChIInChI=1S/C25H32N6O/c1-4-20-8-10-21(11-9-20)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)
InChIKeyPTIGQGLGOQBRCM-UHFFFAOYSA-N
MW432.57 g/mol
LogP4.40
Rot. Bonds7

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

3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide (PubChem CID 20946905) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide
PubChem CID20946905
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)CCc2c(C)nn(-c3ccc(N4CCCCC4)nn3)c2C)cc1
InChIInChI=1S/C25H32N6O/c1-4-20-8-10-21(11-9-20)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)
InChIKeyPTIGQGLGOQBRCM-UHFFFAOYSA-N
XLogP4.40
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ethylphenyl)propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide (CID 20946905) is 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide is CCc1ccc(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-ethylphenyl)propanamide?
The InChIKey is PTIGQGLGOQBRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N6O/c1-4-20-8-10-21(11-9-20)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-ethylphenyl)propanamide?
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide has a molecular weight of 432.57 g/mol, XLogP of 4.40, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethylphenyl)propanamide is sourced from PubChem (CID 20946905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).