[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C18H20FN3O4 — CID 9140097

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H20FN3O4/c19-14-7-3-4-8-15(14)25-12-18(24)26-11-17(23)21-16-9-10-20-22(16)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,21,23)
InChIKeyALDFSISLLNGWQE-UHFFFAOYSA-N
MW361.37 g/mol
LogP2.70
Rot. Bonds7

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

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 9140097) has the molecular formula C18H20FN3O4 and a molecular weight of 361.37 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID9140097
Molecular FormulaC18H20FN3O4
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COC(=O)COc1ccccc1F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H20FN3O4/c19-14-7-3-4-8-15(14)25-12-18(24)26-11-17(23)21-16-9-10-20-22(16)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,21,23)
InChIKeyALDFSISLLNGWQE-UHFFFAOYSA-N
XLogP2.70
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
CID 8598589
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838131
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(4-fluorophenyl)prop-2-enoate
CID 8663739
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812495
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9406845
N-(2-cyclopentylpyrazol-3-yl)-4-(2-methylphenoxy)butanamide
CID 134022496
N-(2-cyclohexylpyrazol-3-yl)-3-(2-methoxyphenoxy)propanamide
CID 78772110
[2-[2-(cyclopentylcarbamoyl)anilino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 7842017
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (E)-3-(2-bromophenyl)prop-2-enoate
CID 7881853
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8819868

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 9140097) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate is O=C(COC(=O)COc1ccccc1F)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is ALDFSISLLNGWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O4/c19-14-7-3-4-8-15(14)25-12-18(24)26-11-17(23)21-16-9-10-20-22(16)13-5-1-2-6-13/h3-4,7-10,13H,1-2,5-6,11-12H2,(H,21,23).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 361.37 g/mol, XLogP of 2.70, 7 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] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 9140097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).