3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C28H24N4O3 — CID 59463412

About 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 59463412) has the molecular formula C28H24N4O3 and a molecular weight of 464.53 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
• PubChem CID: 59463412
• Molecular Formula: C28H24N4O3
• Molecular Weight: 464.53 g/mol
• Exact Mass: 464.18
• IUPAC Name: 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
• SMILES: Cc1ccccc1Oc1ccccc1NC(=O)N1N=C(c2cccnc2)CC1c1ccccc1O
• InChI: InChI=1S/C28H24N4O3/c1-19-9-2-6-14-26(19)35-27-15-7-4-12-22(27)30-28(34)32-24(21-11-3-5-13-25(21)33)17-23(31-32)20-10-8-16-29-18-20/h2-16,18,24,33H,17H2,1H3,(H,30,34)
• InChIKey: KMUUAIDKQVCUTO-UHFFFAOYSA-N
• XLogP: 6.27
• TPSA: 87.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.53
LogP ≤ 5	6.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The IUPAC name of 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 59463412) is 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

What is the SMILES notation for 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The canonical SMILES for 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is Cc1ccccc1Oc1ccccc1NC(=O)N1N=C(c2cccnc2)CC1c1ccccc1O.

What is the InChIKey of 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The InChIKey is KMUUAIDKQVCUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O3/c1-19-9-2-6-14-26(19)35-27-15-7-4-12-22(27)30-28(34)32-24(21-11-3-5-13-25(21)33)17-23(31-32)20-10-8-16-29-18-20/h2-16,18,24,33H,17H2,1H3,(H,30,34).

What are the key properties of 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 464.53 g/mol, XLogP of 6.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-hydroxyphenyl)-N-[2-(2-methylphenoxy)phenyl]-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 59463412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).