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

C30H41N5O7 — CID 51068223

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

1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea (PubChem CID 51068223) has the molecular formula C30H41N5O7 and a molecular weight of 583.69 g/mol. Its IUPAC name is 1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea.

Molecular Properties

• Compound Name: 1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
• PubChem CID: 51068223
• Molecular Formula: C30H41N5O7
• Molecular Weight: 583.69 g/mol
• Exact Mass: 583.30
• IUPAC Name: 1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea
• SMILES: CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)CC1c1ccc(OC)c(OC)c1
• InChI: InChI=1S/C30H41N5O7/c1-6-31-30(37)34(12-11-33-13-15-42-16-14-33)20-29(36)35-25(21-7-10-26(39-3)28(17-21)41-5)19-24(32-35)23-9-8-22(38-2)18-27(23)40-4/h7-10,17-18,25H,6,11-16,19-20H2,1-5H3,(H,31,37)
• InChIKey: JBEFBNXZNGFHJV-UHFFFAOYSA-N
• XLogP: 2.76
• TPSA: 114.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	583.69
LogP ≤ 5	2.76
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea (CID 51068223) is 1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea.

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

The canonical SMILES for 1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea is CCNC(=O)N(CCN1CCOCC1)CC(=O)N1N=C(c2ccc(OC)cc2OC)CC1c1ccc(OC)c(OC)c1.

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

The InChIKey is JBEFBNXZNGFHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5O7/c1-6-31-30(37)34(12-11-33-13-15-42-16-14-33)20-29(36)35-25(21-7-10-26(39-3)28(17-21)41-5)19-24(32-35)23-9-8-22(38-2)18-27(23)40-4/h7-10,17-18,25H,6,11-16,19-20H2,1-5H3,(H,31,37).

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

1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea has a molecular weight of 583.69 g/mol, XLogP of 2.76, 12 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[5-(2,4-dimethoxyphenyl)-3-(3,4-dimethoxyphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-3-ethyl-1-(2-morpholin-4-ylethyl)urea is sourced from PubChem (CID 51068223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).