N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide

C19H24N4O3 — CID 45224806

IUPACN-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1ccc(CCN2CC(NC(=O)Cn3ccc(C)n3)CC2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-14-7-10-23(21-14)13-18(24)20-16-11-19(25)22(12-16)9-8-15-3-5-17(26-2)6-4-15/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,20,24)
InChIKeyUJOXEAQLOFDXFC-UHFFFAOYSA-N
MW356.43 g/mol
LogP1.16
Rot. Bonds7

About N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide

N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (PubChem CID 45224806) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
PubChem CID45224806
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide
SMILESCOc1ccc(CCN2CC(NC(=O)Cn3ccc(C)n3)CC2=O)cc1
InChIInChI=1S/C19H24N4O3/c1-14-7-10-23(21-14)13-18(24)20-16-11-19(25)22(12-16)9-8-15-3-5-17(26-2)6-4-15/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,20,24)
InChIKeyUJOXEAQLOFDXFC-UHFFFAOYSA-N
XLogP1.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The IUPAC name of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide (CID 45224806) is N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide is COc1ccc(CCN2CC(NC(=O)Cn3ccc(C)n3)CC2=O)cc1.
What is the InChIKey of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
The InChIKey is UJOXEAQLOFDXFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-14-7-10-23(21-14)13-18(24)20-16-11-19(25)22(12-16)9-8-15-3-5-17(26-2)6-4-15/h3-7,10,16H,8-9,11-13H2,1-2H3,(H,20,24).
What are the key properties of N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide?
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide has a molecular weight of 356.43 g/mol, XLogP of 1.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(3-methylpyrazol-1-yl)acetamide is sourced from PubChem (CID 45224806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).