ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate

C19H17ClN2O2 — CID 25014975

IUPACethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H17ClN2O2/c1-3-24-19(23)17-13(2)22(14-9-5-4-6-10-14)21-18(17)15-11-7-8-12-16(15)20/h4-12H,3H2,1-2H3
InChIKeyIMGOFCSLEOVDKD-UHFFFAOYSA-N
MW340.81 g/mol
LogP4.68
Rot. Bonds4

About ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate

ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate (PubChem CID 25014975) has the molecular formula C19H17ClN2O2 and a molecular weight of 340.81 g/mol. Its IUPAC name is ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
PubChem CID25014975
Molecular FormulaC19H17ClN2O2
Molecular Weight340.81 g/mol
Exact Mass340.10
IUPAC Nameethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2Cl)nn(-c2ccccc2)c1C
InChIInChI=1S/C19H17ClN2O2/c1-3-24-19(23)17-13(2)22(14-9-5-4-6-10-14)21-18(17)15-11-7-8-12-16(15)20/h4-12H,3H2,1-2H3
InChIKeyIMGOFCSLEOVDKD-UHFFFAOYSA-N
XLogP4.68
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
The IUPAC name of ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate (CID 25014975) is ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
The canonical SMILES for ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate is CCOC(=O)c1c(-c2ccccc2Cl)nn(-c2ccccc2)c1C.
What is the InChIKey of ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
The InChIKey is IMGOFCSLEOVDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O2/c1-3-24-19(23)17-13(2)22(14-9-5-4-6-10-14)21-18(17)15-11-7-8-12-16(15)20/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate?
ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate has a molecular weight of 340.81 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-chlorophenyl)-5-methyl-1-phenylpyrazole-4-carboxylate is sourced from PubChem (CID 25014975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).