4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine

C24H20N6 — CID 91253773

IUPAC4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine
SMILESCc1ccc(C(c2[nH]ncc2-c2ccncc2)c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N6/c1-16-2-4-19(5-3-16)22(23-20(14-27-29-23)17-6-10-25-11-7-17)24-21(15-28-30-24)18-8-12-26-13-9-18/h2-15,22H,1H3,(H,27,29)(H,28,30)
InChIKeyCRGIDRTXNJNRQK-UHFFFAOYSA-N
MW392.47 g/mol
LogP4.75
Rot. Bonds5

About 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine

4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine (PubChem CID 91253773) has the molecular formula C24H20N6 and a molecular weight of 392.47 g/mol. Its IUPAC name is 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine
PubChem CID91253773
Molecular FormulaC24H20N6
Molecular Weight392.47 g/mol
Exact Mass392.17
IUPAC Name4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine
SMILESCc1ccc(C(c2[nH]ncc2-c2ccncc2)c2[nH]ncc2-c2ccncc2)cc1
InChIInChI=1S/C24H20N6/c1-16-2-4-19(5-3-16)22(23-20(14-27-29-23)17-6-10-25-11-7-17)24-21(15-28-30-24)18-8-12-26-13-9-18/h2-15,22H,1H3,(H,27,29)(H,28,30)
InChIKeyCRGIDRTXNJNRQK-UHFFFAOYSA-N
XLogP4.75
TPSA83.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.47
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine (CID 91253773) is 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine is Cc1ccc(C(c2[nH]ncc2-c2ccncc2)c2[nH]ncc2-c2ccncc2)cc1.
What is the InChIKey of 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine?
The InChIKey is CRGIDRTXNJNRQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6/c1-16-2-4-19(5-3-16)22(23-20(14-27-29-23)17-6-10-25-11-7-17)24-21(15-28-30-24)18-8-12-26-13-9-18/h2-15,22H,1H3,(H,27,29)(H,28,30).
What are the key properties of 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine?
4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine has a molecular weight of 392.47 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4-methylphenyl)-(4-pyridin-4-yl-1H-pyrazol-5-yl)methyl]-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 91253773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).