Pyrazole based inhibitor, 33

C₁₈H₁₅N₅ — CID 25093324

About Pyrazole based inhibitor, 33

Pyrazole based inhibitor, 33 (PubChem CID 25093324) has the molecular formula C₁₈H₁₅N₅ and a molecular weight of 301.35 g/mol. Its IUPAC name is 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine.

Molecular Properties

• Compound Name: Pyrazole based inhibitor, 33
• PubChem CID: 25093324
• Molecular Formula: C₁₈H₁₅N₅
• Molecular Weight: 301.35 g/mol
• Exact Mass: 301.13
• IUPAC Name: 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine
• SMILES: Cn1cc(-c2ccc(-c3ccn[nH]3)cc2)c(-c2ccncc2)n1
• InChI: InChI=1S/C18H15N5/c1-23-12-16(18(22-23)15-6-9-19-10-7-15)13-2-4-14(5-3-13)17-8-11-20-21-17/h2-12H,1H3,(H,20,21)
• InChIKey: ZZGACVWRPAHSSW-UHFFFAOYSA-N
• XLogP: 3.54
• TPSA: 59.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	301.35
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of Pyrazole based inhibitor, 33?

The IUPAC name of Pyrazole based inhibitor, 33 (CID 25093324) is 4-[1-methyl-4-[4-(1H-pyrazol-5-yl)phenyl]pyrazol-3-yl]pyridine.

What is the SMILES notation for Pyrazole based inhibitor, 33?

The canonical SMILES for Pyrazole based inhibitor, 33 is Cn1cc(-c2ccc(-c3ccn[nH]3)cc2)c(-c2ccncc2)n1.

What is the InChIKey of Pyrazole based inhibitor, 33?

The InChIKey is ZZGACVWRPAHSSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5/c1-23-12-16(18(22-23)15-6-9-19-10-7-15)13-2-4-14(5-3-13)17-8-11-20-21-17/h2-12H,1H3,(H,20,21).

What are the key properties of Pyrazole based inhibitor, 33?

Pyrazole based inhibitor, 33 has a molecular weight of 301.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Pyrazole based inhibitor, 33 is sourced from PubChem (CID 25093324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25093324 — identifiers, structure, computed properties (public domain)

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