[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate

C18H21N3O4 — CID 7985867

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C18H21N3O4/c1-24-15-8-4-5-13(11-15)18(23)25-12-17(22)20-16-9-10-19-21(16)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,20,22)
InChIKeyXNHSGHSDVBIXMB-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.80
Rot. Bonds6

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate (PubChem CID 7985867) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
PubChem CID7985867
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
SMILESCOc1cccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C18H21N3O4/c1-24-15-8-4-5-13(11-15)18(23)25-12-17(22)20-16-9-10-19-21(16)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,20,22)
InChIKeyXNHSGHSDVBIXMB-UHFFFAOYSA-N
XLogP2.80
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate (CID 7985867) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate is COc1cccc(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate?
The InChIKey is XNHSGHSDVBIXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-24-15-8-4-5-13(11-15)18(23)25-12-17(22)20-16-9-10-19-21(16)14-6-2-3-7-14/h4-5,8-11,14H,2-3,6-7,12H2,1H3,(H,20,22).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.80, 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] 3-methoxybenzoate is sourced from PubChem (CID 7985867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).