ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate

C19H18N2O3 — CID 155920391

IUPACethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)17-13(2)21(15-7-5-4-6-8-15)20-18(17)14-9-11-16(22)12-10-14/h4-12,22H,3H2,1-2H3
InChIKeyKREJCHKSOPPDSY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.73
Rot. Bonds4

About ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate

ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 155920391) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
PubChem CID155920391
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Nameethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H18N2O3/c1-3-24-19(23)17-13(2)21(15-7-5-4-6-8-15)20-18(17)14-9-11-16(22)12-10-14/h4-12,22H,3H2,1-2H3
InChIKeyKREJCHKSOPPDSY-UHFFFAOYSA-N
XLogP3.73
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate (CID 155920391) is ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1c(-c2ccc(O)cc2)nn(-c2ccccc2)c1C.
What is the InChIKey of ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is KREJCHKSOPPDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-3-24-19(23)17-13(2)21(15-7-5-4-6-8-15)20-18(17)14-9-11-16(22)12-10-14/h4-12,22H,3H2,1-2H3.
What are the key properties of ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 322.36 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 155920391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).