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

C20H21FN4 — CID 22037660

IUPAC4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine
SMILESCN1CCCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C20H21FN4/c1-25-12-2-3-16(13-25)20-18(14-8-10-22-11-9-14)19(23-24-20)15-4-6-17(21)7-5-15/h4-11,16H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyXXJGIBBSKLJZNL-UHFFFAOYSA-N
MW336.41 g/mol
LogP4.09
Rot. Bonds3

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

4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 22037660) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID22037660
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine
SMILESCN1CCCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)C1
InChIInChI=1S/C20H21FN4/c1-25-12-2-3-16(13-25)20-18(14-8-10-22-11-9-14)19(23-24-20)15-4-6-17(21)7-5-15/h4-11,16H,2-3,12-13H2,1H3,(H,23,24)
InChIKeyXXJGIBBSKLJZNL-UHFFFAOYSA-N
XLogP4.09
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine (CID 22037660) is 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine is CN1CCCC(c2[nH]nc(-c3ccc(F)cc3)c2-c2ccncc2)C1.
What is the InChIKey of 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is XXJGIBBSKLJZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c1-25-12-2-3-16(13-25)20-18(14-8-10-22-11-9-14)19(23-24-20)15-4-6-17(21)7-5-15/h4-11,16H,2-3,12-13H2,1H3,(H,23,24).
What are the key properties of 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine?
4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 336.41 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-fluorophenyl)-5-(1-methylpiperidin-3-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).