1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

C20H26N4O3 — CID 91822785

IUPAC1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN1CC(C(=O)Nc2c(C)nn(C)c2C)CC1=O
InChIInChI=1S/C20H26N4O3/c1-13-19(14(2)23(3)22-13)21-20(26)16-11-18(25)24(12-16)10-9-15-7-5-6-8-17(15)27-4/h5-8,16H,9-12H2,1-4H3,(H,21,26)
InChIKeyPJNNJFVAITXUOO-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.08
Rot. Bonds6

About 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide

1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (PubChem CID 91822785) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
PubChem CID91822785
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
SMILESCOc1ccccc1CCN1CC(C(=O)Nc2c(C)nn(C)c2C)CC1=O
InChIInChI=1S/C20H26N4O3/c1-13-19(14(2)23(3)22-13)21-20(26)16-11-18(25)24(12-16)10-9-15-7-5-6-8-17(15)27-4/h5-8,16H,9-12H2,1-4H3,(H,21,26)
InChIKeyPJNNJFVAITXUOO-UHFFFAOYSA-N
XLogP2.08
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184453
methyl 1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxylate
CID 168693497
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2H-tetrazol-5-yl)pyrrolidine-3-carboxamide
CID 110204117
N-(4-acetylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184463
N-(4-tert-butylphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184440
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-propan-2-ylphenyl)pyrrolidine-3-carboxamide
CID 113184435
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(2,3,4-trifluorophenyl)pyrrolidine-3-carboxamide
CID 113184480
N-(2,4-difluorophenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184474
N-cycloheptyl-1-[2-(2-methoxyphenyl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 113184410
1-[2-(2-methoxyphenyl)ethyl]-N-(3-methylbutyl)-5-oxopyrrolidine-3-carboxamide
CID 113184412
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 91641073
N-(1,5-dimethylpyrazol-3-yl)-1-[2-(2-methoxyphenoxy)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 75488960

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide (CID 91822785) is 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is COc1ccccc1CCN1CC(C(=O)Nc2c(C)nn(C)c2C)CC1=O.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is PJNNJFVAITXUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-13-19(14(2)23(3)22-13)21-20(26)16-11-18(25)24(12-16)10-9-15-7-5-6-8-17(15)27-4/h5-8,16H,9-12H2,1-4H3,(H,21,26).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide?
1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-5-oxo-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91822785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).