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

C20H20ClN5O2 — CID 71697562

IUPAC[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H20ClN5O2/c1-28-19-10-9-18(22-23-19)26-17(14-5-7-15(21)8-6-14)13-16(24-26)20(27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3
InChIKeyLSNNDKWDIPAPEA-UHFFFAOYSA-N
MW397.87 g/mol
LogP3.62
Rot. Bonds4

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

[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 71697562) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID71697562
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1
InChIInChI=1S/C20H20ClN5O2/c1-28-19-10-9-18(22-23-19)26-17(14-5-7-15(21)8-6-14)13-16(24-26)20(27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3
InChIKeyLSNNDKWDIPAPEA-UHFFFAOYSA-N
XLogP3.62
TPSA73.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone (CID 71697562) is [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)nn1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is LSNNDKWDIPAPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-28-19-10-9-18(22-23-19)26-17(14-5-7-15(21)8-6-14)13-16(24-26)20(27)25-11-3-2-4-12-25/h5-10,13H,2-4,11-12H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone?
[5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 397.87 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(6-methoxypyridazin-3-yl)pyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71697562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).