ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate

C11H9Cl2N3O2 — CID 22280350

IUPACethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-2-18-11(17)8-6-9(13)15-16(8)10-7(12)4-3-5-14-10/h3-6H,2H2,1H3
InChIKeyHPWHVTNMJJFSOQ-UHFFFAOYSA-N
MW286.12 g/mol
LogP2.75
Rot. Bonds3

About ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate

ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate (PubChem CID 22280350) has the molecular formula C11H9Cl2N3O2 and a molecular weight of 286.12 g/mol. Its IUPAC name is ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
PubChem CID22280350
Molecular FormulaC11H9Cl2N3O2
Molecular Weight286.12 g/mol
Exact Mass285.01
IUPAC Nameethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate
SMILESCCOC(=O)c1cc(Cl)nn1-c1ncccc1Cl
InChIInChI=1S/C11H9Cl2N3O2/c1-2-18-11(17)8-6-9(13)15-16(8)10-7(12)4-3-5-14-10/h3-6H,2H2,1H3
InChIKeyHPWHVTNMJJFSOQ-UHFFFAOYSA-N
XLogP2.75
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.12
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The IUPAC name of ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate (CID 22280350) is ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate.
What is the SMILES notation for ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The canonical SMILES for ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate is CCOC(=O)c1cc(Cl)nn1-c1ncccc1Cl.
What is the InChIKey of ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
The InChIKey is HPWHVTNMJJFSOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9Cl2N3O2/c1-2-18-11(17)8-6-9(13)15-16(8)10-7(12)4-3-5-14-10/h3-6H,2H2,1H3.
What are the key properties of ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate?
ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate has a molecular weight of 286.12 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-chloro-1-(3-chloro-2-pyridinyl)pyrazole-5-carboxylate is sourced from PubChem (CID 22280350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).