3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one

C22H24ClN5O2 — CID 71698081

IUPAC3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-n2nc(CCC(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C22H24ClN5O2/c1-30-21-11-10-20(24-25-21)28-19(16-5-7-17(23)8-6-16)15-18(26-28)9-12-22(29)27-13-3-2-4-14-27/h5-8,10-11,15H,2-4,9,12-14H2,1H3
InChIKeyYRGKYHRFQNVUIV-UHFFFAOYSA-N
MW425.92 g/mol
LogP3.94
Rot. Bonds6

About 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one

3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one (PubChem CID 71698081) has the molecular formula C22H24ClN5O2 and a molecular weight of 425.92 g/mol. Its IUPAC name is 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one
PubChem CID71698081
Molecular FormulaC22H24ClN5O2
Molecular Weight425.92 g/mol
Exact Mass425.16
IUPAC Name3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one
SMILESCOc1ccc(-n2nc(CCC(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C22H24ClN5O2/c1-30-21-11-10-20(24-25-21)28-19(16-5-7-17(23)8-6-16)15-18(26-28)9-12-22(29)27-13-3-2-4-14-27/h5-8,10-11,15H,2-4,9,12-14H2,1H3
InChIKeyYRGKYHRFQNVUIV-UHFFFAOYSA-N
XLogP3.94
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.92
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one?
The IUPAC name of 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one (CID 71698081) is 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one?
The canonical SMILES for 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one is COc1ccc(-n2nc(CCC(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1.
What is the InChIKey of 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one?
The InChIKey is YRGKYHRFQNVUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN5O2/c1-30-21-11-10-20(24-25-21)28-19(16-5-7-17(23)8-6-16)15-18(26-28)9-12-22(29)27-13-3-2-4-14-27/h5-8,10-11,15H,2-4,9,12-14H2,1H3.
What are the key properties of 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one?
3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one has a molecular weight of 425.92 g/mol, XLogP of 3.94, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-1-piperidin-1-ylpropan-1-one is sourced from PubChem (CID 71698081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).