ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate

C11H16N2O3 — CID 61236160

IUPACethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCO)c1C1CC1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)9-7-12-13(5-6-14)10(9)8-3-4-8/h7-8,14H,2-6H2,1H3
InChIKeyRYUJXUVAQCUPNA-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.93
Rot. Bonds5

About ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate

ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate (PubChem CID 61236160) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate
PubChem CID61236160
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Nameethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(CCO)c1C1CC1
InChIInChI=1S/C11H16N2O3/c1-2-16-11(15)9-7-12-13(5-6-14)10(9)8-3-4-8/h7-8,14H,2-6H2,1H3
InChIKeyRYUJXUVAQCUPNA-UHFFFAOYSA-N
XLogP0.93
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate (CID 61236160) is ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(CCO)c1C1CC1.
What is the InChIKey of ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
The InChIKey is RYUJXUVAQCUPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-2-16-11(15)9-7-12-13(5-6-14)10(9)8-3-4-8/h7-8,14H,2-6H2,1H3.
What are the key properties of ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate?
ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-cyclopropyl-1-(2-hydroxyethyl)pyrazole-4-carboxylate is sourced from PubChem (CID 61236160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).