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

C21H24N4 — CID 46884596

IUPAC4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]c(C3CCN(C)CC3)c2-c2ccncc2)c1
InChIInChI=1S/C21H24N4/c1-15-4-3-5-18(14-15)21-19(16-6-10-22-11-7-16)20(23-24-21)17-8-12-25(2)13-9-17/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyYHIXTLKAKCYDJE-UHFFFAOYSA-N
MW332.45 g/mol
LogP4.26
Rot. Bonds3

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

4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine (PubChem CID 46884596) has the molecular formula C21H24N4 and a molecular weight of 332.45 g/mol. Its IUPAC name is 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
PubChem CID46884596
Molecular FormulaC21H24N4
Molecular Weight332.45 g/mol
Exact Mass332.20
IUPAC Name4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine
SMILESCc1cccc(-c2n[nH]c(C3CCN(C)CC3)c2-c2ccncc2)c1
InChIInChI=1S/C21H24N4/c1-15-4-3-5-18(14-15)21-19(16-6-10-22-11-7-16)20(23-24-21)17-8-12-25(2)13-9-17/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,23,24)
InChIKeyYHIXTLKAKCYDJE-UHFFFAOYSA-N
XLogP4.26
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine (CID 46884596) is 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine is Cc1cccc(-c2n[nH]c(C3CCN(C)CC3)c2-c2ccncc2)c1.
What is the InChIKey of 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
The InChIKey is YHIXTLKAKCYDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4/c1-15-4-3-5-18(14-15)21-19(16-6-10-22-11-7-16)20(23-24-21)17-8-12-25(2)13-9-17/h3-7,10-11,14,17H,8-9,12-13H2,1-2H3,(H,23,24).
What are the key properties of 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine?
4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine has a molecular weight of 332.45 g/mol, XLogP of 4.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(3-methylphenyl)-5-(1-methylpiperidin-4-yl)-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 46884596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).