3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea

C21H32FN5O — CID 52511917

About 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea

3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea (PubChem CID 52511917) has the molecular formula C21H32FN5O and a molecular weight of 389.52 g/mol. Its IUPAC name is 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea.

Molecular Properties

• Compound Name: 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
• PubChem CID: 52511917
• Molecular Formula: C21H32FN5O
• Molecular Weight: 389.52 g/mol
• Exact Mass: 389.26
• IUPAC Name: 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea
• SMILES: CCN(CC)C[C@@H](C)NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1
• InChI: InChI=1S/C21H32FN5O/c1-5-27(6-2)15-16(3)23-21(28)26(4)12-8-11-19-14-20(25-24-19)17-9-7-10-18(22)13-17/h7,9-10,13-14,16H,5-6,8,11-12,15H2,1-4H3,(H,23,28)(H,24,25)/t16-/m1/s1
• InChIKey: WJJACTQVKKCRMG-MRXNPFEDSA-N
• XLogP: 3.52
• TPSA: 64.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 10
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	389.52
LogP ≤ 5	3.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea?

The IUPAC name of 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea (CID 52511917) is 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea.

What is the SMILES notation for 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea?

The canonical SMILES for 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea is CCN(CC)C[C@@H](C)NC(=O)N(C)CCCc1cc(-c2cccc(F)c2)n[nH]1.

What is the InChIKey of 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea?

The InChIKey is WJJACTQVKKCRMG-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H32FN5O/c1-5-27(6-2)15-16(3)23-21(28)26(4)12-8-11-19-14-20(25-24-19)17-9-7-10-18(22)13-17/h7,9-10,13-14,16H,5-6,8,11-12,15H2,1-4H3,(H,23,28)(H,24,25)/t16-/m1/s1.

What are the key properties of 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea?

3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea has a molecular weight of 389.52 g/mol, XLogP of 3.52, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(2R)-1-(diethylamino)propan-2-yl]-1-[3-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]propyl]-1-methylurea is sourced from PubChem (CID 52511917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).