2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

C19H24N6 — CID 118739969

IUPAC2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCn1cc(CN2CCCCC2c2ccc(-c3cnn(C)c3)nc2)cn1
InChIInChI=1S/C19H24N6/c1-23-12-15(9-21-23)13-25-8-4-3-5-19(25)16-6-7-18(20-10-16)17-11-22-24(2)14-17/h6-7,9-12,14,19H,3-5,8,13H2,1-2H3
InChIKeyGDRQZHOLAHIDIU-UHFFFAOYSA-N
MW336.44 g/mol
LogP2.94
Rot. Bonds4

About 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine

2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (PubChem CID 118739969) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.

Molecular Properties

Compound Name2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
PubChem CID118739969
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine
SMILESCn1cc(CN2CCCCC2c2ccc(-c3cnn(C)c3)nc2)cn1
InChIInChI=1S/C19H24N6/c1-23-12-15(9-21-23)13-25-8-4-3-5-19(25)16-6-7-18(20-10-16)17-11-22-24(2)14-17/h6-7,9-12,14,19H,3-5,8,13H2,1-2H3
InChIKeyGDRQZHOLAHIDIU-UHFFFAOYSA-N
XLogP2.94
TPSA51.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The IUPAC name of 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine (CID 118739969) is 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine.
What is the SMILES notation for 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The canonical SMILES for 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is Cn1cc(CN2CCCCC2c2ccc(-c3cnn(C)c3)nc2)cn1.
What is the InChIKey of 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
The InChIKey is GDRQZHOLAHIDIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6/c1-23-12-15(9-21-23)13-25-8-4-3-5-19(25)16-6-7-18(20-10-16)17-11-22-24(2)14-17/h6-7,9-12,14,19H,3-5,8,13H2,1-2H3.
What are the key properties of 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine?
2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine has a molecular weight of 336.44 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpyrazol-4-yl)-5-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-2-yl]pyridine is sourced from PubChem (CID 118739969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).