[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate

C19H23N3O3 — CID 8708761

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1C
InChIInChI=1S/C19H23N3O3/c1-13-7-8-15(11-14(13)2)19(24)25-12-18(23)21-17-9-10-20-22(17)16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,21,23)
InChIKeyWUQQBDDAVVTZJM-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.41
Rot. Bonds5

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate (PubChem CID 8708761) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
PubChem CID8708761
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
SMILESCc1ccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1C
InChIInChI=1S/C19H23N3O3/c1-13-7-8-15(11-14(13)2)19(24)25-12-18(23)21-17-9-10-20-22(17)16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,21,23)
InChIKeyWUQQBDDAVVTZJM-UHFFFAOYSA-N
XLogP3.41
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 8645930
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534684
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985867
[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-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 16512091
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952749
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
2-(4-chloro-3-methylphenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 38905946
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838131
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812495
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate (CID 8708761) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate is Cc1ccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1C.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
The InChIKey is WUQQBDDAVVTZJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-7-8-15(11-14(13)2)19(24)25-12-18(23)21-17-9-10-20-22(17)16-5-3-4-6-16/h7-11,16H,3-6,12H2,1-2H3,(H,21,23).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate has a molecular weight of 341.41 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate is sourced from PubChem (CID 8708761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).