methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate

C11H9Cl2N3O2 — CID 58158937

IUPACmethyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-6-3-9(11(17)18-2)16(15-6)10-8(13)4-7(12)5-14-10/h3-5H,1-2H3
InChIKeyGAULUDVSWNWGBW-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.67
Rot. Bonds2

About methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate

methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate (PubChem CID 58158937) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
PubChem CID58158937
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Namemethyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate
SMILESCOC(=O)c1cc(C)nn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-6-3-9(11(17)18-2)16(15-6)10-8(13)4-7(12)5-14-10/h3-5H,1-2H3
InChIKeyGAULUDVSWNWGBW-UHFFFAOYSA-N
XLogP2.67
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate?
The IUPAC name of methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate (CID 58158937) is methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate.
What is the SMILES notation for methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate?
The canonical SMILES for methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate is COC(=O)c1cc(C)nn1-c1ncc(Cl)cc1Cl.
What is the InChIKey of methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate?
The InChIKey is GAULUDVSWNWGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-6-3-9(11(17)18-2)16(15-6)10-8(13)4-7(12)5-14-10/h3-5H,1-2H3.
What are the key properties of methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate?
methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate has a molecular weight of 286.12 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3,5-dichloro-2-pyridinyl)-5-methylpyrazole-3-carboxylate is sourced from PubChem (CID 58158937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).