3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

C24H21N5O2S — CID 71081189

About 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide

3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (PubChem CID 71081189) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

Molecular Properties

• Compound Name: 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
• PubChem CID: 71081189
• Molecular Formula: C24H21N5O2S
• Molecular Weight: 443.53 g/mol
• Exact Mass: 443.14
• IUPAC Name: 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide
• SMILES: O=C(NC1CSC(c2ccccc2)=N1)N1N=C(c2cccnc2)CC1c1ccccc1O
• InChI: InChI=1S/C24H21N5O2S/c30-21-11-5-4-10-18(21)20-13-19(17-9-6-12-25-14-17)28-29(20)24(31)27-22-15-32-23(26-22)16-7-2-1-3-8-16/h1-12,14,20,22,30H,13,15H2,(H,27,31)
• InChIKey: XYPQCASWGINHLU-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 90.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.53
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

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-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The IUPAC name of 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide (CID 71081189) is 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide.

What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The canonical SMILES for 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is O=C(NC1CSC(c2ccccc2)=N1)N1N=C(c2cccnc2)CC1c1ccccc1O.

What is the InChIKey of 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

The InChIKey is XYPQCASWGINHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c30-21-11-5-4-10-18(21)20-13-19(17-9-6-12-25-14-17)28-29(20)24(31)27-22-15-32-23(26-22)16-7-2-1-3-8-16/h1-12,14,20,22,30H,13,15H2,(H,27,31).

What are the key properties of 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide?

3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide has a molecular weight of 443.53 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-hydroxyphenyl)-N-(2-phenyl-4,5-dihydro-1,3-thiazol-4-yl)-5-pyridin-3-yl-3,4-dihydropyrazole-2-carboxamide is sourced from PubChem (CID 71081189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).