5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide

C20H20N4O3 — CID 97150973

About 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide

5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide (PubChem CID 97150973) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide
• PubChem CID: 97150973
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide
• SMILES: CNC(=O)[C@H](NC(=O)c1cn[nH]c1-c1cccc(OC)c1)c1ccccc1
• InChI: InChI=1S/C20H20N4O3/c1-21-20(26)18(13-7-4-3-5-8-13)23-19(25)16-12-22-24-17(16)14-9-6-10-15(11-14)27-2/h3-12,18H,1-2H3,(H,21,26)(H,22,24)(H,23,25)/t18-/m1/s1
• InChIKey: JCHRICHCQZKKPX-GOSISDBHSA-N
• XLogP: 2.30
• TPSA: 96.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	2.30
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide?

The IUPAC name of 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide (CID 97150973) is 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide.

What is the SMILES notation for 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide?

The canonical SMILES for 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide is CNC(=O)[C@H](NC(=O)c1cn[nH]c1-c1cccc(OC)c1)c1ccccc1.

What is the InChIKey of 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide?

The InChIKey is JCHRICHCQZKKPX-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-21-20(26)18(13-7-4-3-5-8-13)23-19(25)16-12-22-24-17(16)14-9-6-10-15(11-14)27-2/h3-12,18H,1-2H3,(H,21,26)(H,22,24)(H,23,25)/t18-/m1/s1.

What are the key properties of 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide?

5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(3-methoxyphenyl)-N-[(1R)-2-(methylamino)-2-oxo-1-phenylethyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 97150973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).