ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate

C13H12N2O4 — CID 4792887

IUPACethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1cc(C(=O)c2ccccc2O)cn1
InChIInChI=1S/C13H12N2O4/c1-2-19-13(18)15-8-9(7-14-15)12(17)10-5-3-4-6-11(10)16/h3-8,16H,2H2,1H3
InChIKeyPNNPSWZXUDQMOI-UHFFFAOYSA-N
MW260.25 g/mol
LogP1.82
Rot. Bonds3

About ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate

ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate (PubChem CID 4792887) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
PubChem CID4792887
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Nameethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate
SMILESCCOC(=O)n1cc(C(=O)c2ccccc2O)cn1
InChIInChI=1S/C13H12N2O4/c1-2-19-13(18)15-8-9(7-14-15)12(17)10-5-3-4-6-11(10)16/h3-8,16H,2H2,1H3
InChIKeyPNNPSWZXUDQMOI-UHFFFAOYSA-N
XLogP1.82
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
The IUPAC name of ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate (CID 4792887) is ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
The canonical SMILES for ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate is CCOC(=O)n1cc(C(=O)c2ccccc2O)cn1.
What is the InChIKey of ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
The InChIKey is PNNPSWZXUDQMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c1-2-19-13(18)15-8-9(7-14-15)12(17)10-5-3-4-6-11(10)16/h3-8,16H,2H2,1H3.
What are the key properties of ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate?
ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate has a molecular weight of 260.25 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-hydroxybenzoyl)pyrazole-1-carboxylate is sourced from PubChem (CID 4792887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).