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

C20H21FN4 — CID 45177067

IUPAC3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3)C2)cc1
InChIInChI=1S/C20H21FN4/c21-18-7-5-16(6-8-18)19-12-23-24-20(19)17-4-2-10-25(14-17)13-15-3-1-9-22-11-15/h1,3,5-9,11-12,17H,2,4,10,13-14H2,(H,23,24)
InChIKeyKBZKVFLNOHXJCH-UHFFFAOYSA-N
MW336.41 g/mol
LogP3.99
Rot. Bonds4

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

3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (PubChem CID 45177067) has the molecular formula C20H21FN4 and a molecular weight of 336.41 g/mol. Its IUPAC name is 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
PubChem CID45177067
Molecular FormulaC20H21FN4
Molecular Weight336.41 g/mol
Exact Mass336.18
IUPAC Name3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine
SMILESFc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3)C2)cc1
InChIInChI=1S/C20H21FN4/c21-18-7-5-16(6-8-18)19-12-23-24-20(19)17-4-2-10-25(14-17)13-15-3-1-9-22-11-15/h1,3,5-9,11-12,17H,2,4,10,13-14H2,(H,23,24)
InChIKeyKBZKVFLNOHXJCH-UHFFFAOYSA-N
XLogP3.99
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.41
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The IUPAC name of 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine (CID 45177067) is 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine.
What is the SMILES notation for 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The canonical SMILES for 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is Fc1ccc(-c2cn[nH]c2C2CCCN(Cc3cccnc3)C2)cc1.
What is the InChIKey of 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
The InChIKey is KBZKVFLNOHXJCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4/c21-18-7-5-16(6-8-18)19-12-23-24-20(19)17-4-2-10-25(14-17)13-15-3-1-9-22-11-15/h1,3,5-9,11-12,17H,2,4,10,13-14H2,(H,23,24).
What are the key properties of 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine?
3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine has a molecular weight of 336.41 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridine is sourced from PubChem (CID 45177067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).