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

C20H21ClN4 — CID 22037400

IUPAC4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
SMILESCN1CCC(c2[nH]nc(-c3cccc(Cl)c3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21ClN4/c1-25-11-7-15(8-12-25)19-18(14-5-9-22-10-6-14)20(24-23-19)16-3-2-4-17(21)13-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24)
InChIKeyRPEOVNFMEZECTP-UHFFFAOYSA-N
MW352.87 g/mol
LogP4.60
Rot. Bonds3

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

4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 22037400) has the molecular formula C20H21ClN4 and a molecular weight of 352.87 g/mol. Its IUPAC name is 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID22037400
Molecular FormulaC20H21ClN4
Molecular Weight352.87 g/mol
Exact Mass352.15
IUPAC Name4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
SMILESCN1CCC(c2[nH]nc(-c3cccc(Cl)c3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21ClN4/c1-25-11-7-15(8-12-25)19-18(14-5-9-22-10-6-14)20(24-23-19)16-3-2-4-17(21)13-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24)
InChIKeyRPEOVNFMEZECTP-UHFFFAOYSA-N
XLogP4.60
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine 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 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine (CID 22037400) is 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine is CN1CCC(c2[nH]nc(-c3cccc(Cl)c3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is RPEOVNFMEZECTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4/c1-25-11-7-15(8-12-25)19-18(14-5-9-22-10-6-14)20(24-23-19)16-3-2-4-17(21)13-16/h2-6,9-10,13,15H,7-8,11-12H2,1H3,(H,23,24).
What are the key properties of 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 352.87 g/mol, XLogP of 4.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-chlorophenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).