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

C17H15N3O2 — CID 135066227

IUPACmethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(N)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-22-17(21)14-15(12-8-4-2-5-9-12)20(19-16(14)18)13-10-6-3-7-11-13/h2-11H,1H3,(H2,18,19)
InChIKeyGAWDXKKJPVEBGN-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.91
Rot. Bonds3

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

methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate (PubChem CID 135066227) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate
PubChem CID135066227
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Namemethyl 3-amino-1,5-diphenylpyrazole-4-carboxylate
SMILESCOC(=O)c1c(N)nn(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C17H15N3O2/c1-22-17(21)14-15(12-8-4-2-5-9-12)20(19-16(14)18)13-10-6-3-7-11-13/h2-11H,1H3,(H2,18,19)
InChIKeyGAWDXKKJPVEBGN-UHFFFAOYSA-N
XLogP2.91
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
The IUPAC name of methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate (CID 135066227) is methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate.
What is the SMILES notation for methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
The canonical SMILES for methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate is COC(=O)c1c(N)nn(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
The InChIKey is GAWDXKKJPVEBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-22-17(21)14-15(12-8-4-2-5-9-12)20(19-16(14)18)13-10-6-3-7-11-13/h2-11H,1H3,(H2,18,19).
What are the key properties of methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate?
methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate has a molecular weight of 293.33 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-1,5-diphenylpyrazole-4-carboxylate is sourced from PubChem (CID 135066227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).