3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea

C28H37N5O4 — CID 51068181

About 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea

3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea (PubChem CID 51068181) has the molecular formula C28H37N5O4 and a molecular weight of 507.64 g/mol. Its IUPAC name is 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

• Compound Name: 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea
• PubChem CID: 51068181
• Molecular Formula: C28H37N5O4
• Molecular Weight: 507.64 g/mol
• Exact Mass: 507.28
• IUPAC Name: 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea
• SMILES: CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)CC1c1ccc(C)cc1
• InChI: InChI=1S/C28H37N5O4/c1-4-29-28(35)32(13-12-31-14-16-37-17-15-31)20-27(34)33-26(22-10-8-21(2)9-11-22)19-25(30-33)23-6-5-7-24(18-23)36-3/h5-11,18,26H,4,12-17,19-20H2,1-3H3,(H,29,35)
• InChIKey: DRMMMUPTCLBOHB-UHFFFAOYSA-N
• XLogP: 3.05
• TPSA: 86.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.64
LogP ≤ 5	3.05
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea?

The IUPAC name of 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea (CID 51068181) is 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea.

What is the SMILES notation for 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea?

The canonical SMILES for 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea is CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2cccc(OC)c2)CC1c1ccc(C)cc1.

What is the InChIKey of 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea?

The InChIKey is DRMMMUPTCLBOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N5O4/c1-4-29-28(35)32(13-12-31-14-16-37-17-15-31)20-27(34)33-26(22-10-8-21(2)9-11-22)19-25(30-33)23-6-5-7-24(18-23)36-3/h5-11,18,26H,4,12-17,19-20H2,1-3H3,(H,29,35).

What are the key properties of 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea?

3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 507.64 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-ethyl-1-[2-[5-(3-methoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 51068181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).