[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate

C18H18F3N3O3 — CID 7838131

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)14-8-4-3-7-13(14)17(26)27-11-16(25)23-15-9-10-22-24(15)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,23,25)
InChIKeyJOIHYFHNPOSUIZ-UHFFFAOYSA-N
MW381.35 g/mol
LogP3.81
Rot. Bonds5

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

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate (PubChem CID 7838131) has the molecular formula C18H18F3N3O3 and a molecular weight of 381.35 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
PubChem CID7838131
Molecular FormulaC18H18F3N3O3
Molecular Weight381.35 g/mol
Exact Mass381.13
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
SMILESO=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccnn1C1CCCC1
InChIInChI=1S/C18H18F3N3O3/c19-18(20,21)14-8-4-3-7-13(14)17(26)27-11-16(25)23-15-9-10-22-24(15)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,23,25)
InChIKeyJOIHYFHNPOSUIZ-UHFFFAOYSA-N
XLogP3.81
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.35
LogP ≤ 53.81
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] 2-hydroxy-5-methylbenzoate
CID 16512091
[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
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785238
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140097
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708761
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985867
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (3S)-2,3-dihydro-1,4-benzodioxine-3-carboxylate
CID 9406845
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7952749
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16564536

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate (CID 7838131) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate is O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccnn1C1CCCC1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate?
The InChIKey is JOIHYFHNPOSUIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O3/c19-18(20,21)14-8-4-3-7-13(14)17(26)27-11-16(25)23-15-9-10-22-24(15)12-5-1-2-6-12/h3-4,7-10,12H,1-2,5-6,11H2,(H,23,25).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate has a molecular weight of 381.35 g/mol, XLogP of 3.81, 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-(trifluoromethyl)benzoate is sourced from PubChem (CID 7838131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).