N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

C28H30N6O3 — CID 135892671

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (PubChem CID 135892671) has the molecular formula C28H30N6O3 and a molecular weight of 498.59 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

Molecular Properties

• Compound Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
• PubChem CID: 135892671
• Molecular Formula: C28H30N6O3
• Molecular Weight: 498.59 g/mol
• Exact Mass: 498.24
• IUPAC Name: N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide
• SMILES: Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1
• InChI: InChI=1S/C28H30N6O3/c1-20-24(27(36)31-28(30-20)33-14-16-37-17-15-33)12-13-25(35)29-18-22-19-34(23-10-6-3-7-11-23)32-26(22)21-8-4-2-5-9-21/h2-11,19H,12-18H2,1H3,(H,29,35)(H,30,31,36)
• InChIKey: RQADHNJPQTXXHA-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 105.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	498.59
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide (CID 135892671) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide.

What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccccc1.

What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

The InChIKey is RQADHNJPQTXXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O3/c1-20-24(27(36)31-28(30-20)33-14-16-37-17-15-33)12-13-25(35)29-18-22-19-34(23-10-6-3-7-11-23)32-26(22)21-8-4-2-5-9-21/h2-11,19H,12-18H2,1H3,(H,29,35)(H,30,31,36).

What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide?

N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide has a molecular weight of 498.59 g/mol, XLogP of 3.02, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)propanamide is sourced from PubChem (CID 135892671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).