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

C20H21ClN4 — CID 23648270

IUPAC4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
SMILESCC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21ClN4/c1-14-8-12-25(13-9-14)20-18(15-6-10-22-11-7-15)19(23-24-20)16-2-4-17(21)5-3-16/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyAOXUXJXIJKCXEP-UHFFFAOYSA-N
MW352.87 g/mol
LogP5.03
Rot. Bonds3

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

4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 23648270) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID23648270
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine
SMILESCC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21ClN4/c1-14-8-12-25(13-9-14)20-18(15-6-10-22-11-7-15)19(23-24-20)16-2-4-17(21)5-3-16/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyAOXUXJXIJKCXEP-UHFFFAOYSA-N
XLogP5.03
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.87
LogP ≤ 55.03
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-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine (CID 23648270) is 4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine is CC1CCN(c2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is AOXUXJXIJKCXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-14-8-12-25(13-9-14)20-18(15-6-10-22-11-7-15)19(23-24-20)16-2-4-17(21)5-3-16/h2-7,10-11,14H,8-9,12-13H2,1H3,(H,23,24).
What are the key properties of 4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-3-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 352.87 g/mol, XLogP of 5.03, 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-(4-methylpiperidin-1-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 23648270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).