3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine

C22H25ClN4 — CID 75451916

IUPAC3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine
SMILESClc1ccccc1Cn1cc(CN2CCC(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C22H25ClN4/c23-22-6-2-1-5-21(22)17-27-16-20(14-25-27)15-26-10-7-18(8-11-26)12-19-4-3-9-24-13-19/h1-6,9,13-14,16,18H,7-8,10-12,15,17H2
InChIKeySZBMZZJNGBXNDR-UHFFFAOYSA-N
MW380.92 g/mol
LogP4.43
Rot. Bonds6

About 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine

3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine (PubChem CID 75451916) has the molecular formula C22H25ClN4 and a molecular weight of 380.92 g/mol. Its IUPAC name is 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine
PubChem CID75451916
Molecular FormulaC22H25ClN4
Molecular Weight380.92 g/mol
Exact Mass380.18
IUPAC Name3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine
SMILESClc1ccccc1Cn1cc(CN2CCC(Cc3cccnc3)CC2)cn1
InChIInChI=1S/C22H25ClN4/c23-22-6-2-1-5-21(22)17-27-16-20(14-25-27)15-26-10-7-18(8-11-26)12-19-4-3-9-24-13-19/h1-6,9,13-14,16,18H,7-8,10-12,15,17H2
InChIKeySZBMZZJNGBXNDR-UHFFFAOYSA-N
XLogP4.43
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.92
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine?
The IUPAC name of 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine (CID 75451916) is 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine.
What is the SMILES notation for 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine?
The canonical SMILES for 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine is Clc1ccccc1Cn1cc(CN2CCC(Cc3cccnc3)CC2)cn1.
What is the InChIKey of 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine?
The InChIKey is SZBMZZJNGBXNDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN4/c23-22-6-2-1-5-21(22)17-27-16-20(14-25-27)15-26-10-7-18(8-11-26)12-19-4-3-9-24-13-19/h1-6,9,13-14,16,18H,7-8,10-12,15,17H2.
What are the key properties of 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine?
3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine has a molecular weight of 380.92 g/mol, XLogP of 4.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]methyl]pyridine is sourced from PubChem (CID 75451916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).