methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate

C11H12F2N2O2 — CID 74217811

IUPACmethyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2F)NN1
InChIInChI=1S/C11H12F2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-4,9-10,14-15H,5H2,1H3
InChIKeyCNIXXQNHMDXICN-UHFFFAOYSA-N
MW242.22 g/mol
LogP1.05
Rot. Bonds2

About methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate

methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate (PubChem CID 74217811) has the molecular formula C11H12F2N2O2 and a molecular weight of 242.22 g/mol. Its IUPAC name is methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate
PubChem CID74217811
Molecular FormulaC11H12F2N2O2
Molecular Weight242.22 g/mol
Exact Mass242.09
IUPAC Namemethyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate
SMILESCOC(=O)C1CC(c2ccc(F)cc2F)NN1
InChIInChI=1S/C11H12F2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-4,9-10,14-15H,5H2,1H3
InChIKeyCNIXXQNHMDXICN-UHFFFAOYSA-N
XLogP1.05
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.22
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate?
The IUPAC name of methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate (CID 74217811) is methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate.
What is the SMILES notation for methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate?
The canonical SMILES for methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate is COC(=O)C1CC(c2ccc(F)cc2F)NN1.
What is the InChIKey of methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate?
The InChIKey is CNIXXQNHMDXICN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O2/c1-17-11(16)10-5-9(14-15-10)7-3-2-6(12)4-8(7)13/h2-4,9-10,14-15H,5H2,1H3.
What are the key properties of methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate?
methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate has a molecular weight of 242.22 g/mol, XLogP of 1.05, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2,4-difluorophenyl)pyrazolidine-3-carboxylate is sourced from PubChem (CID 74217811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).