2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate

C15H16N4O3 — CID 75370370

IUPAC2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OCCn2ncc(C#N)c2N)c1
InChIInChI=1S/C15H16N4O3/c1-2-21-13-5-3-4-11(8-13)15(20)22-7-6-19-14(17)12(9-16)10-18-19/h3-5,8,10H,2,6-7,17H2,1H3
InChIKeyRZNWQBMRECCWFT-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.59
Rot. Bonds6

About 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate

2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate (PubChem CID 75370370) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate.

Molecular Properties

Compound Name2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate
PubChem CID75370370
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate
SMILESCCOc1cccc(C(=O)OCCn2ncc(C#N)c2N)c1
InChIInChI=1S/C15H16N4O3/c1-2-21-13-5-3-4-11(8-13)15(20)22-7-6-19-14(17)12(9-16)10-18-19/h3-5,8,10H,2,6-7,17H2,1H3
InChIKeyRZNWQBMRECCWFT-UHFFFAOYSA-N
XLogP1.59
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(5-amino-4-cyanopyrazol-1-yl)ethyl imidazo[1,5-a]pyridine-7-carboxylate
CID 75400858
(3-propoxycarbonylphenyl) 3-ethoxybenzoate
CID 17169687
[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-(3-ethoxyphenyl)methanone
CID 114638798
methyl 3-ethoxybenzoate
CID 3267781
5-amino-1-[2-(3-methylphenoxy)acetyl]pyrazole-4-carbonitrile
CID 51178953
2-(butylamino)ethyl 3-ethoxybenzoate
CID 82532358
5-amino-2-(3-ethoxyphenoxy)pyridine-3-carbonitrile
CID 62338626
propyl 3-cyanobenzoate
CID 43389575
ethyl 1-[2-(3-aminophenoxy)ethyl]pyrazole-4-carboxylate
CID 81499102
[(2S)-1-oxo-1-(propylamino)propan-2-yl] 3-(5-amino-4-cyanopyrazol-1-yl)benzoate
CID 95636339
(3-methoxycarbonylphenyl) 3-ethoxybenzoate
CID 4981603
(3-ethoxyphenyl)-pyridazin-4-ylmethanone
CID 105122423

Frequently Asked Questions

What is the IUPAC name of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate?
The IUPAC name of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate (CID 75370370) is 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate.
What is the SMILES notation for 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate?
The canonical SMILES for 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate is CCOc1cccc(C(=O)OCCn2ncc(C#N)c2N)c1.
What is the InChIKey of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate?
The InChIKey is RZNWQBMRECCWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-2-21-13-5-3-4-11(8-13)15(20)22-7-6-19-14(17)12(9-16)10-18-19/h3-5,8,10H,2,6-7,17H2,1H3.
What are the key properties of 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate?
2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate has a molecular weight of 300.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-amino-4-cyanopyrazol-1-yl)ethyl 3-ethoxybenzoate is sourced from PubChem (CID 75370370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).