[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

C21H27N3O4 — CID 8598589

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccc(OCC(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C21H27N3O4/c1-15(2)16-7-9-18(10-8-16)27-14-21(26)28-13-20(25)23-19-11-12-22-24(19)17-5-3-4-6-17/h7-12,15,17H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyWAIIZRPPFZXJSP-UHFFFAOYSA-N
MW385.46 g/mol
LogP3.68
Rot. Bonds8

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (PubChem CID 8598589) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
PubChem CID8598589
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate
SMILESCC(C)c1ccc(OCC(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1
InChIInChI=1S/C21H27N3O4/c1-15(2)16-7-9-18(10-8-16)27-14-21(26)28-13-20(25)23-19-11-12-22-24(19)17-5-3-4-6-17/h7-12,15,17H,3-6,13-14H2,1-2H3,(H,23,25)
InChIKeyWAIIZRPPFZXJSP-UHFFFAOYSA-N
XLogP3.68
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194150
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(2-fluorophenoxy)acetate
CID 9140097
2-(4-chloro-3-methylphenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 38905946
N-(2-cyclohexylpyrazol-3-yl)-2-(4-nitrophenoxy)acetamide
CID 78772045
2-(3-chlorophenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 35142597
N-(2-cyclopentylpyrazol-3-yl)-2-(4-ethoxyanilino)acetamide
CID 78815624
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985346
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] (2S)-2-[(2-chlorobenzoyl)amino]-3-methylbutanoate
CID 16564536
[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
N-(2-cyclopentylpyrazol-3-yl)-2-[1-(4-propan-2-ylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 8659076

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate (CID 8598589) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate is CC(C)c1ccc(OCC(=O)OCC(=O)Nc2ccnn2C2CCCC2)cc1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
The InChIKey is WAIIZRPPFZXJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c1-15(2)16-7-9-18(10-8-16)27-14-21(26)28-13-20(25)23-19-11-12-22-24(19)17-5-3-4-6-17/h7-12,15,17H,3-6,13-14H2,1-2H3,(H,23,25).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(4-propan-2-ylphenoxy)acetate has a molecular weight of 385.46 g/mol, XLogP of 3.68, 8 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-(4-propan-2-ylphenoxy)acetate is sourced from PubChem (CID 8598589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).