ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate

C19H19ClN2O2 — CID 69309256

IUPACethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nn2cccc2c1-c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-4-24-19(23)17-16(13-8-5-6-9-14(13)20)15-10-7-11-22(15)21-18(17)12(2)3/h5-12H,4H2,1-3H3
InChIKeyNAPFSZRKEARNJV-UHFFFAOYSA-N
MW342.83 g/mol
LogP4.95
Rot. Bonds4

About ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate

ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate (PubChem CID 69309256) has the molecular formula C19H19ClN2O2 and a molecular weight of 342.83 g/mol. Its IUPAC name is ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
PubChem CID69309256
Molecular FormulaC19H19ClN2O2
Molecular Weight342.83 g/mol
Exact Mass342.11
IUPAC Nameethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)C)nn2cccc2c1-c1ccccc1Cl
InChIInChI=1S/C19H19ClN2O2/c1-4-24-19(23)17-16(13-8-5-6-9-14(13)20)15-10-7-11-22(15)21-18(17)12(2)3/h5-12H,4H2,1-3H3
InChIKeyNAPFSZRKEARNJV-UHFFFAOYSA-N
XLogP4.95
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate (CID 69309256) is ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1c(C(C)C)nn2cccc2c1-c1ccccc1Cl.
What is the InChIKey of ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is NAPFSZRKEARNJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2O2/c1-4-24-19(23)17-16(13-8-5-6-9-14(13)20)15-10-7-11-22(15)21-18(17)12(2)3/h5-12H,4H2,1-3H3.
What are the key properties of ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate?
ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 342.83 g/mol, XLogP of 4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(2-chlorophenyl)-2-propan-2-ylpyrrolo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 69309256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).