methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate

C18H16N2O2 — CID 5137983

IUPACmethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H16N2O2/c1-13-16(18(21)22-2)17(14-9-5-3-6-10-14)19-20(13)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyHVZACYGKHVGKTH-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.63
Rot. Bonds3

About methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate

methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate (PubChem CID 5137983) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate
PubChem CID5137983
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Namemethyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C
InChIInChI=1S/C18H16N2O2/c1-13-16(18(21)22-2)17(14-9-5-3-6-10-14)19-20(13)15-11-7-4-8-12-15/h3-12H,1-2H3
InChIKeyHVZACYGKHVGKTH-UHFFFAOYSA-N
XLogP3.63
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The IUPAC name of methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate (CID 5137983) is methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The canonical SMILES for methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate is COC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C.
What is the InChIKey of methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
The InChIKey is HVZACYGKHVGKTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-13-16(18(21)22-2)17(14-9-5-3-6-10-14)19-20(13)15-11-7-4-8-12-15/h3-12H,1-2H3.
What are the key properties of methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate?
methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-methyl-1,3-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 5137983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).