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

C22H22ClN3O2 — CID 71698083

IUPAC[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-28-19-11-9-18(10-12-19)26-21(16-5-7-17(23)8-6-16)15-20(24-26)22(27)25-13-3-2-4-14-25/h5-12,15H,2-4,13-14H2,1H3
InChIKeyBLWWVNSSUNOOKP-UHFFFAOYSA-N
MW395.89 g/mol
LogP4.83
Rot. Bonds4

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

[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone (PubChem CID 71698083) has the molecular formula C22H22ClN3O2 and a molecular weight of 395.89 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
PubChem CID71698083
Molecular FormulaC22H22ClN3O2
Molecular Weight395.89 g/mol
Exact Mass395.14
IUPAC Name[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone
SMILESCOc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H22ClN3O2/c1-28-19-11-9-18(10-12-19)26-21(16-5-7-17(23)8-6-16)15-20(24-26)22(27)25-13-3-2-4-14-25/h5-12,15H,2-4,13-14H2,1H3
InChIKeyBLWWVNSSUNOOKP-UHFFFAOYSA-N
XLogP4.83
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.89
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [5-(4-chlorophenyl)-1-(4-methoxyphenyl)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-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The IUPAC name of [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone (CID 71698083) is [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone.
What is the SMILES notation for [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The canonical SMILES for [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone is COc1ccc(-n2nc(C(=O)N3CCCCC3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
The InChIKey is BLWWVNSSUNOOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22ClN3O2/c1-28-19-11-9-18(10-12-19)26-21(16-5-7-17(23)8-6-16)15-20(24-26)22(27)25-13-3-2-4-14-25/h5-12,15H,2-4,13-14H2,1H3.
What are the key properties of [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone?
[5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone has a molecular weight of 395.89 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-3-yl]-piperidin-1-ylmethanone is sourced from PubChem (CID 71698083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).