4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine

C21H23ClN4 — CID 23648269

IUPAC4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
SMILESCC1CC(C)CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C21H23ClN4/c1-14-11-15(2)13-26(12-14)21-19(16-7-9-23-10-8-16)20(24-25-21)17-3-5-18(22)6-4-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,25)
InChIKeyRGSUWKJYBMJESY-UHFFFAOYSA-N
MW366.90 g/mol
LogP5.27
Rot. Bonds3

About 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 23648269) has the molecular formula C21H23ClN4 and a molecular weight of 366.90 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID23648269
Molecular FormulaC21H23ClN4
Molecular Weight366.90 g/mol
Exact Mass366.16
IUPAC Name4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
SMILESCC1CC(C)CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C21H23ClN4/c1-14-11-15(2)13-26(12-14)21-19(16-7-9-23-10-8-16)20(24-25-21)17-3-5-18(22)6-4-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,25)
InChIKeyRGSUWKJYBMJESY-UHFFFAOYSA-N
XLogP5.27
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.90
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine (CID 23648269) is 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine is CC1CC(C)CN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)C1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is RGSUWKJYBMJESY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4/c1-14-11-15(2)13-26(12-14)21-19(16-7-9-23-10-8-16)20(24-25-21)17-3-5-18(22)6-4-17/h3-10,14-15H,11-13H2,1-2H3,(H,24,25).
What are the key properties of 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 366.90 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(3,5-dimethylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 23648269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).