5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide

C28H24ClN5O2 — CID 135509247

About 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide

5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide (PubChem CID 135509247) has the molecular formula C28H24ClN5O2 and a molecular weight of 497.99 g/mol. Its IUPAC name is 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
• PubChem CID: 135509247
• Molecular Formula: C28H24ClN5O2
• Molecular Weight: 497.99 g/mol
• Exact Mass: 497.16
• IUPAC Name: 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide
• SMILES: Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C28H24ClN5O2/c1-19-25(26(29)34(32-19)21-12-6-3-7-13-21)28(36)33(17-16-20-10-4-2-5-11-20)18-24-30-23-15-9-8-14-22(23)27(35)31-24/h2-15H,16-18H2,1H3,(H,30,31,35)
• InChIKey: RKCFQVCUGLGBRZ-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 83.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.99
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?

The IUPAC name of 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide (CID 135509247) is 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(CCc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?

The InChIKey is RKCFQVCUGLGBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24ClN5O2/c1-19-25(26(29)34(32-19)21-12-6-3-7-13-21)28(36)33(17-16-20-10-4-2-5-11-20)18-24-30-23-15-9-8-14-22(23)27(35)31-24/h2-15H,16-18H2,1H3,(H,30,31,35).

What are the key properties of 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide?

5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide has a molecular weight of 497.99 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-phenyl-N-(2-phenylethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 135509247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).