[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate

C18H21N3O4 — CID 16512091

IUPAC[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C18H21N3O4/c1-12-6-7-15(22)14(10-12)18(24)25-11-17(23)20-16-8-9-19-21(16)13-4-2-3-5-13/h6-10,13,22H,2-5,11H2,1H3,(H,20,23)
InChIKeyOZAAZRYZMDHPIV-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.81
Rot. Bonds5

About [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate (PubChem CID 16512091) 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] 2-hydroxy-5-methylbenzoate.

Molecular Properties

Compound Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
PubChem CID16512091
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate
SMILESCc1ccc(O)c(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1
InChIInChI=1S/C18H21N3O4/c1-12-6-7-15(22)14(10-12)18(24)25-11-17(23)20-16-8-9-19-21(16)13-4-2-3-5-13/h6-10,13,22H,2-5,11H2,1H3,(H,20,23)
InChIKeyOZAAZRYZMDHPIV-UHFFFAOYSA-N
XLogP2.81
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,5-dimethylbenzoate
CID 8534684
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2,4-dimethylbenzoate
CID 8645930
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3,4-dimethylbenzoate
CID 8708761
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-(trifluoromethyl)benzoate
CID 7838131
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 3-methoxybenzoate
CID 7985867
ethyl N-(2-cyclopentylpyrazol-3-yl)carbamate
CID 110470599
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(2-methylpropoxy)benzoate
CID 7194150
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 4-(propan-2-yloxymethyl)benzoate
CID 8985346
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] quinoline-2-carboxylate
CID 7812495
[2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-hydroxy-5-methylbenzoate
CID 7771385
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-phenoxyacetate
CID 7980188
2-(4-chloro-3-methylphenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 38905946

Frequently Asked Questions

What is the IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The IUPAC name of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate (CID 16512091) is [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate.
What is the SMILES notation for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The canonical SMILES for [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate is Cc1ccc(O)c(C(=O)OCC(=O)Nc2ccnn2C2CCCC2)c1.
What is the InChIKey of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
The InChIKey is OZAAZRYZMDHPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-6-7-15(22)14(10-12)18(24)25-11-17(23)20-16-8-9-19-21(16)13-4-2-3-5-13/h6-10,13,22H,2-5,11H2,1H3,(H,20,23).
What are the key properties of [2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate?
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl] 2-hydroxy-5-methylbenzoate has a molecular weight of 343.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 2 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-hydroxy-5-methylbenzoate is sourced from PubChem (CID 16512091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).