methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

C18H16N2O3 — CID 740223

IUPACmethyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H16N2O3/c1-22-15-10-8-13(9-11-15)17-16(18(21)23-2)12-20(19-17)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyVUHPUNZSLIWOLV-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.33
Rot. Bonds4

About methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate

methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (PubChem CID 740223) has the molecular formula C18H16N2O3 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
PubChem CID740223
Molecular FormulaC18H16N2O3
Molecular Weight308.34 g/mol
Exact Mass308.12
IUPAC Namemethyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate
SMILESCOC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1
InChIInChI=1S/C18H16N2O3/c1-22-15-10-8-13(9-11-15)17-16(18(21)23-2)12-20(19-17)14-6-4-3-5-7-14/h3-12H,1-2H3
InChIKeyVUHPUNZSLIWOLV-UHFFFAOYSA-N
XLogP3.33
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate (CID 740223) is methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
The InChIKey is VUHPUNZSLIWOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O3/c1-22-15-10-8-13(9-11-15)17-16(18(21)23-2)12-20(19-17)14-6-4-3-5-7-14/h3-12H,1-2H3.
What are the key properties of methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate?
methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate has a molecular weight of 308.34 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 740223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).