ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate

C19H23N3O3 — CID 71916027

IUPACethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate
SMILESCCOC(=O)c1ccccc1N(C)C(=O)c1ccnn1C1CCCC1
InChIInChI=1S/C19H23N3O3/c1-3-25-19(24)15-10-6-7-11-16(15)21(2)18(23)17-12-13-20-22(17)14-8-4-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3
InChIKeyQSPAHKXIAHHJBV-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.45
Rot. Bonds5

About ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate

ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate (PubChem CID 71916027) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate.

Molecular Properties

Compound Nameethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate
PubChem CID71916027
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Nameethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate
SMILESCCOC(=O)c1ccccc1N(C)C(=O)c1ccnn1C1CCCC1
InChIInChI=1S/C19H23N3O3/c1-3-25-19(24)15-10-6-7-11-16(15)21(2)18(23)17-12-13-20-22(17)14-8-4-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3
InChIKeyQSPAHKXIAHHJBV-UHFFFAOYSA-N
XLogP3.45
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate?
The IUPAC name of ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate (CID 71916027) is ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate.
What is the SMILES notation for ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate?
The canonical SMILES for ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate is CCOC(=O)c1ccccc1N(C)C(=O)c1ccnn1C1CCCC1.
What is the InChIKey of ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate?
The InChIKey is QSPAHKXIAHHJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-3-25-19(24)15-10-6-7-11-16(15)21(2)18(23)17-12-13-20-22(17)14-8-4-5-9-14/h6-7,10-14H,3-5,8-9H2,1-2H3.
What are the key properties of ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate?
ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate has a molecular weight of 341.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-cyclopentylpyrazole-3-carbonyl)-methylamino]benzoate is sourced from PubChem (CID 71916027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).