[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

C21H24N4O4 — CID 7952749

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C21H24N4O4/c26-19(23-18-11-12-22-25(18)17-4-1-2-5-17)14-29-21(28)15-7-9-16(10-8-15)24-13-3-6-20(24)27/h7-12,17H,1-6,13-14H2,(H,23,26)
InChIKeyLNNLYTITEVGJGE-UHFFFAOYSA-N
MW396.45 g/mol
LogP2.92
Rot. Bonds6

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (PubChem CID 7952749) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
PubChem CID7952749
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
SMILESO=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C21H24N4O4/c26-19(23-18-11-12-22-25(18)17-4-1-2-5-17)14-29-21(28)15-7-9-16(10-8-15)24-13-3-6-20(24)27/h7-12,17H,1-6,13-14H2,(H,23,26)
InChIKeyLNNLYTITEVGJGE-UHFFFAOYSA-N
XLogP2.92
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708761
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194150
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985346
(2-anilino-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404789
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 8645930
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838131
[2-[4-(dimethylcarbamoyl)anilino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7953022
[2-(methylcarbamoylamino)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952856
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534684
methyl 2-[[2-[4-(2-oxopyrrolidin-1-yl)benzoyl]oxyacetyl]amino]benzoate
CID 7953013
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785238
(2-benzamido-2-oxoethyl) 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952883

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate (CID 7952749) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is O=C(COC(=O)c1ccc(N2CCCC2=O)cc1)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
The InChIKey is LNNLYTITEVGJGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c26-19(23-18-11-12-22-25(18)17-4-1-2-5-17)14-29-21(28)15-7-9-16(10-8-15)24-13-3-6-20(24)27/h7-12,17H,1-6,13-14H2,(H,23,26).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate has a molecular weight of 396.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate is sourced from PubChem (CID 7952749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).