[3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

C19H20ClN5O2 — CID 127249503

About [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone

[3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 127249503) has the molecular formula C19H20ClN5O2 and a molecular weight of 385.86 g/mol. Its IUPAC name is [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

• Compound Name: [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
• PubChem CID: 127249503
• Molecular Formula: C19H20ClN5O2
• Molecular Weight: 385.86 g/mol
• Exact Mass: 385.13
• IUPAC Name: [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone
• SMILES: Cn1nccc1C(=O)N1CCC(c2cc(COc3cccc(Cl)c3)[nH]n2)C1
• InChI: InChI=1S/C19H20ClN5O2/c1-24-18(5-7-21-24)19(26)25-8-6-13(11-25)17-10-15(22-23-17)12-27-16-4-2-3-14(20)9-16/h2-5,7,9-10,13H,6,8,11-12H2,1H3,(H,22,23)
• InChIKey: KDKQNUHVURGMFR-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 76.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	385.86
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The IUPAC name of [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone (CID 127249503) is [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone.

What is the SMILES notation for [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The canonical SMILES for [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is Cn1nccc1C(=O)N1CCC(c2cc(COc3cccc(Cl)c3)[nH]n2)C1.

What is the InChIKey of [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

The InChIKey is KDKQNUHVURGMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O2/c1-24-18(5-7-21-24)19(26)25-8-6-13(11-25)17-10-15(22-23-17)12-27-16-4-2-3-14(20)9-16/h2-5,7,9-10,13H,6,8,11-12H2,1H3,(H,22,23).

What are the key properties of [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone?

[3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 385.86 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[(3-chlorophenoxy)methyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 127249503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).