2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

C21H28N4O2 — CID 91767909

IUPAC2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NCc2ccccc2CN2CCCC2=O)c1C
InChIInChI=1S/C21H28N4O2/c1-4-19-15(2)23-25(16(19)3)14-20(26)22-12-17-8-5-6-9-18(17)13-24-11-7-10-21(24)27/h5-6,8-9H,4,7,10-14H2,1-3H3,(H,22,26)
InChIKeyCJYQNXZMTWENTP-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.50
Rot. Bonds7

About 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide

2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (PubChem CID 91767909) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.

Molecular Properties

Compound Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
PubChem CID91767909
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide
SMILESCCc1c(C)nn(CC(=O)NCc2ccccc2CN2CCCC2=O)c1C
InChIInChI=1S/C21H28N4O2/c1-4-19-15(2)23-25(16(19)3)14-20(26)22-12-17-8-5-6-9-18(17)13-24-11-7-10-21(24)27/h5-6,8-9H,4,7,10-14H2,1-3H3,(H,22,26)
InChIKeyCJYQNXZMTWENTP-UHFFFAOYSA-N
XLogP2.50
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide with MolForge

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Related Compounds

1-[(2-ethylphenyl)methyl]-2-methyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine;hydroiodide
CID 111635783
3-amino-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]butanamide;hydrochloride
CID 119716995
2-[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]acetohydrazide
CID 113314919
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-[(3S)-3-phenylpyrrolidin-1-yl]acetamide
CID 95592054
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-thiophen-2-ylacetamide
CID 95942009
(2R)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-(1,2,4-triazol-1-yl)propanamide
CID 94021481
N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-2-pyrazol-1-ylbutanamide
CID 118782127
3-(2-methoxyphenoxy)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]propanamide
CID 86924907
1,2-dimethyl-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]guanidine
CID 110914901
1-(5-methyl-2-pyridinyl)-3-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]thiourea
CID 100711943
2-(4-amino-3,5-dimethylpyrazol-1-yl)-N-[(2-chlorophenyl)methyl]acetamide
CID 43445326
2-methyl-1-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]-3-propan-2-ylguanidine
CID 111124369

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The IUPAC name of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide (CID 91767909) is 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide.
What is the SMILES notation for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The canonical SMILES for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is CCc1c(C)nn(CC(=O)NCc2ccccc2CN2CCCC2=O)c1C.
What is the InChIKey of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
The InChIKey is CJYQNXZMTWENTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-4-19-15(2)23-25(16(19)3)14-20(26)22-12-17-8-5-6-9-18(17)13-24-11-7-10-21(24)27/h5-6,8-9H,4,7,10-14H2,1-3H3,(H,22,26).
What are the key properties of 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide?
2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide has a molecular weight of 368.48 g/mol, XLogP of 2.50, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-[[2-[(2-oxopyrrolidin-1-yl)methyl]phenyl]methyl]acetamide is sourced from PubChem (CID 91767909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).