4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine

C21H24N4 — CID 77091492

IUPAC4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
SMILESCc1nn(-c2ccccc2)cc1CN1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H24N4/c1-17-20(16-25(23-17)21-5-3-2-4-6-21)15-24-13-9-19(10-14-24)18-7-11-22-12-8-18/h2-8,11-12,16,19H,9-10,13-15H2,1H3
InChIKeyRFTJHKLCMCLYOK-UHFFFAOYSA-N
MW332.45 g/mol
LogP3.96
Rot. Bonds4

About 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine

4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine (PubChem CID 77091492) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine.

Molecular Properties

Compound Name4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
PubChem CID77091492
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine
SMILESCc1nn(-c2ccccc2)cc1CN1CCC(c2ccncc2)CC1
InChIInChI=1S/C21H24N4/c1-17-20(16-25(23-17)21-5-3-2-4-6-21)15-24-13-9-19(10-14-24)18-7-11-22-12-8-18/h2-8,11-12,16,19H,9-10,13-15H2,1H3
InChIKeyRFTJHKLCMCLYOK-UHFFFAOYSA-N
XLogP3.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine?
The IUPAC name of 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine (CID 77091492) is 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine.
What is the SMILES notation for 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine?
The canonical SMILES for 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine is Cc1nn(-c2ccccc2)cc1CN1CCC(c2ccncc2)CC1.
What is the InChIKey of 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine?
The InChIKey is RFTJHKLCMCLYOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-17-20(16-25(23-17)21-5-3-2-4-6-21)15-24-13-9-19(10-14-24)18-7-11-22-12-8-18/h2-8,11-12,16,19H,9-10,13-15H2,1H3.
What are the key properties of 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine?
4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(3-methyl-1-phenylpyrazol-4-yl)methyl]piperidin-4-yl]pyridine is sourced from PubChem (CID 77091492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).