2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C20H29N5O4 — CID 42285789

IUPAC2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29N5O4/c26-18(21-6-2-8-23-7-1-3-19(23)27)14-25-17(15-4-5-15)13-16(22-25)20(28)24-9-11-29-12-10-24/h13,15H,1-12,14H2,(H,21,26)
InChIKeyOPCQAKJSCUDLDS-UHFFFAOYSA-N
MW403.48 g/mol
LogP0.36
Rot. Bonds8

About 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 42285789) has the molecular formula C20H29N5O4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID42285789
Molecular FormulaC20H29N5O4
Molecular Weight403.48 g/mol
Exact Mass403.22
IUPAC Name2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESO=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)NCCCN1CCCC1=O
InChIInChI=1S/C20H29N5O4/c26-18(21-6-2-8-23-7-1-3-19(23)27)14-25-17(15-4-5-15)13-16(22-25)20(28)24-9-11-29-12-10-24/h13,15H,1-12,14H2,(H,21,26)
InChIKeyOPCQAKJSCUDLDS-UHFFFAOYSA-N
XLogP0.36
TPSA96.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 42285789) is 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is O=C(Cn1nc(C(=O)N2CCOCC2)cc1C1CC1)NCCCN1CCCC1=O.
What is the InChIKey of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is OPCQAKJSCUDLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O4/c26-18(21-6-2-8-23-7-1-3-19(23)27)14-25-17(15-4-5-15)13-16(22-25)20(28)24-9-11-29-12-10-24/h13,15H,1-12,14H2,(H,21,26).
What are the key properties of 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 403.48 g/mol, XLogP of 0.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-cyclopropyl-3-(morpholine-4-carbonyl)pyrazol-1-yl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 42285789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).