N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide

C19H24N4O3 — CID 173096263

IUPACN-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCn1cc(-c2cccc(OCCNC(=O)C(=O)CN3CCCC3)c2)cn1
InChIInChI=1S/C19H24N4O3/c1-22-13-16(12-21-22)15-5-4-6-17(11-15)26-10-7-20-19(25)18(24)14-23-8-2-3-9-23/h4-6,11-13H,2-3,7-10,14H2,1H3,(H,20,25)
InChIKeyLIMJDTBCQYKHQV-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.25
Rot. Bonds8

About N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide

N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide (PubChem CID 173096263) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound NameN-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
PubChem CID173096263
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide
SMILESCn1cc(-c2cccc(OCCNC(=O)C(=O)CN3CCCC3)c2)cn1
InChIInChI=1S/C19H24N4O3/c1-22-13-16(12-21-22)15-5-4-6-17(11-15)26-10-7-20-19(25)18(24)14-23-8-2-3-9-23/h4-6,11-13H,2-3,7-10,14H2,1H3,(H,20,25)
InChIKeyLIMJDTBCQYKHQV-UHFFFAOYSA-N
XLogP1.25
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide?
The IUPAC name of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide (CID 173096263) is N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide?
The canonical SMILES for N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide is Cn1cc(-c2cccc(OCCNC(=O)C(=O)CN3CCCC3)c2)cn1.
What is the InChIKey of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide?
The InChIKey is LIMJDTBCQYKHQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-22-13-16(12-21-22)15-5-4-6-17(11-15)26-10-7-20-19(25)18(24)14-23-8-2-3-9-23/h4-6,11-13H,2-3,7-10,14H2,1H3,(H,20,25).
What are the key properties of N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide?
N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide has a molecular weight of 356.43 g/mol, XLogP of 1.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1-methylpyrazol-4-yl)phenoxy]ethyl]-2-oxo-3-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 173096263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).