5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine

C12H17F2N3 — CID 76985907

IUPAC5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine
SMILESCCCNC1CC(c2c(F)cccc2F)NN1
InChIInChI=1S/C12H17F2N3/c1-2-6-15-11-7-10(16-17-11)12-8(13)4-3-5-9(12)14/h3-5,10-11,15-17H,2,6-7H2,1H3
InChIKeyFIXCOHWNTRLJBD-UHFFFAOYSA-N
MW241.28 g/mol
LogP1.83
Rot. Bonds4

About 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine

5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine (PubChem CID 76985907) has the molecular formula C12H17F2N3 and a molecular weight of 241.28 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine
PubChem CID76985907
Molecular FormulaC12H17F2N3
Molecular Weight241.28 g/mol
Exact Mass241.14
IUPAC Name5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine
SMILESCCCNC1CC(c2c(F)cccc2F)NN1
InChIInChI=1S/C12H17F2N3/c1-2-6-15-11-7-10(16-17-11)12-8(13)4-3-5-9(12)14/h3-5,10-11,15-17H,2,6-7H2,1H3
InChIKeyFIXCOHWNTRLJBD-UHFFFAOYSA-N
XLogP1.83
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.28
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine?
The IUPAC name of 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine (CID 76985907) is 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine.
What is the SMILES notation for 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine?
The canonical SMILES for 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine is CCCNC1CC(c2c(F)cccc2F)NN1.
What is the InChIKey of 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine?
The InChIKey is FIXCOHWNTRLJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F2N3/c1-2-6-15-11-7-10(16-17-11)12-8(13)4-3-5-9(12)14/h3-5,10-11,15-17H,2,6-7H2,1H3.
What are the key properties of 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine?
5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine has a molecular weight of 241.28 g/mol, XLogP of 1.83, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-N-propylpyrazolidin-3-amine is sourced from PubChem (CID 76985907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).