ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate

C13H14N2O3 — CID 86692424

IUPACethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(O)cc2)c1C
InChIInChI=1S/C13H14N2O3/c1-3-18-13(17)12-8-14-15(9(12)2)10-4-6-11(16)7-5-10/h4-8,16H,3H2,1-2H3
InChIKeyILQODNNKVQGFOT-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.06
Rot. Bonds3

About ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate

ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate (PubChem CID 86692424) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
PubChem CID86692424
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Nameethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(O)cc2)c1C
InChIInChI=1S/C13H14N2O3/c1-3-18-13(17)12-8-14-15(9(12)2)10-4-6-11(16)7-5-10/h4-8,16H,3H2,1-2H3
InChIKeyILQODNNKVQGFOT-UHFFFAOYSA-N
XLogP2.06
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-methyl-1-(4-methylsulfonylphenyl)pyrazole-4-carboxylate
CID 22267610
ethyl 5-methyl-1-(4-nitrophenyl)pyrazole-4-carboxylate
CID 2741473
ethyl 1-[4-[[(2R)-1-(4-hydroxyphenyl)propan-2-yl]-methylcarbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 97029295
ethyl 1-[4-(2-hydroxyethylcarbamoyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 78867948
ethyl 1-(3-chloro-4-fluorophenyl)-5-methylpyrazole-4-carboxylate
CID 83401193
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
ethyl 1-[4-[[(3,4-dimethoxybenzoyl)amino]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 43070191
ethyl 5-methyl-1-[4-(pentan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxylate
CID 46403241
ethyl 1-[4-(2,3-dihydroxypropylamino)phenyl]-5-methylpyrazole-4-carboxylate
CID 168596552
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
CID 53429357
ethyl 1-[3,5-bis(trifluoromethyl)phenyl]-5-methylpyrazole-4-carboxylate
CID 2805607
ethyl 1-[4-[benzyl(methyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31972366

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate (CID 86692424) is ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(O)cc2)c1C.
What is the InChIKey of ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate?
The InChIKey is ILQODNNKVQGFOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-3-18-13(17)12-8-14-15(9(12)2)10-4-6-11(16)7-5-10/h4-8,16H,3H2,1-2H3.
What are the key properties of ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate?
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate is sourced from PubChem (CID 86692424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).