(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine

C20H24ClN5O2 — CID 125021223

About (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine

(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine (PubChem CID 125021223) has the molecular formula C20H24ClN5O2 and a molecular weight of 401.90 g/mol. Its IUPAC name is (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine.

Molecular Properties

• Compound Name: (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
• PubChem CID: 125021223
• Molecular Formula: C20H24ClN5O2
• Molecular Weight: 401.90 g/mol
• Exact Mass: 401.16
• IUPAC Name: (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine
• SMILES: Cn1nccc1CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1
• InChI: InChI=1S/C20H24ClN5O2/c1-25-17(6-8-22-25)13-26-9-11-28-20(14-26)19-12-16(23-24-19)7-10-27-18-4-2-15(21)3-5-18/h2-6,8,12,20H,7,9-11,13-14H2,1H3,(H,23,24)/t20-/m1/s1
• InChIKey: YIEKGUGSKMXDPU-HXUWFJFHSA-N
• XLogP: 2.99
• TPSA: 68.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.90
LogP ≤ 5	2.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?

The IUPAC name of (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine (CID 125021223) is (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine.

What is the SMILES notation for (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?

The canonical SMILES for (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine is Cn1nccc1CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1.

What is the InChIKey of (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?

The InChIKey is YIEKGUGSKMXDPU-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24ClN5O2/c1-25-17(6-8-22-25)13-26-9-11-28-20(14-26)19-12-16(23-24-19)7-10-27-18-4-2-15(21)3-5-18/h2-6,8,12,20H,7,9-11,13-14H2,1H3,(H,23,24)/t20-/m1/s1.

What are the key properties of (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine?

(2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine has a molecular weight of 401.90 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[5-[2-(4-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]-4-[(2-methylpyrazol-3-yl)methyl]morpholine is sourced from PubChem (CID 125021223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).