3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine

C10H12F3N3 — CID 70430178

IUPAC3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine
SMILESNC1(c2cccc(C(F)(F)F)c2)CCNN1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15-16-9/h1-3,6,15-16H,4-5,14H2
InChIKeyVVTZXASIIGPKJA-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.31
Rot. Bonds1

About 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine

3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine (PubChem CID 70430178) has the molecular formula C10H12F3N3 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine.

Molecular Properties

Compound Name3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine
PubChem CID70430178
Molecular FormulaC10H12F3N3
Molecular Weight231.22 g/mol
Exact Mass231.10
IUPAC Name3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine
SMILESNC1(c2cccc(C(F)(F)F)c2)CCNN1
InChIInChI=1S/C10H12F3N3/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15-16-9/h1-3,6,15-16H,4-5,14H2
InChIKeyVVTZXASIIGPKJA-UHFFFAOYSA-N
XLogP1.31
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
The IUPAC name of 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine (CID 70430178) is 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine.
What is the SMILES notation for 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
The canonical SMILES for 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine is NC1(c2cccc(C(F)(F)F)c2)CCNN1.
What is the InChIKey of 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
The InChIKey is VVTZXASIIGPKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-15-16-9/h1-3,6,15-16H,4-5,14H2.
What are the key properties of 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine has a molecular weight of 231.22 g/mol, XLogP of 1.31, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethyl)phenyl]pyrazolidin-3-amine is sourced from PubChem (CID 70430178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).