[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

C17H17ClFN3O3 — CID 7820311

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H17ClFN3O3/c18-12-6-3-7-13(19)16(12)17(24)25-10-15(23)21-14-8-9-20-22(14)11-4-1-2-5-11/h3,6-9,11H,1-2,4-5,10H2,(H,21,23)
InChIKeyRZIRDGLHWGFESL-UHFFFAOYSA-N
MW365.79 g/mol
LogP3.59
Rot. Bonds5

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (PubChem CID 7820311) has the molecular formula C17H17ClFN3O3 and a molecular weight of 365.79 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
PubChem CID7820311
Molecular FormulaC17H17ClFN3O3
Molecular Weight365.79 g/mol
Exact Mass365.09
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate
SMILESO=C(COC(=O)c1c(F)cccc1Cl)Nc1ccnn1C1CCCC1
InChIInChI=1S/C17H17ClFN3O3/c18-12-6-3-7-13(19)16(12)17(24)25-10-15(23)21-14-8-9-20-22(14)11-4-1-2-5-11/h3,6-9,11H,1-2,4-5,10H2,(H,21,23)
InChIKeyRZIRDGLHWGFESL-UHFFFAOYSA-N
XLogP3.59
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.79
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate (CID 7820311) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate is O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
The InChIKey is RZIRDGLHWGFESL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O3/c18-12-6-3-7-13(19)16(12)17(24)25-10-15(23)21-14-8-9-20-22(14)11-4-1-2-5-11/h3,6-9,11H,1-2,4-5,10H2,(H,21,23).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-chloro-6-fluorobenzoate has a molecular weight of 365.79 g/mol, XLogP of 3.59, 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] 2-chloro-6-fluorobenzoate is sourced from PubChem (CID 7820311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).