N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine

C12H16F3N3 — CID 76985726

IUPACN-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine
SMILESCCNC1CC(c2ccc(C(F)(F)F)cc2)NN1
InChIInChI=1S/C12H16F3N3/c1-2-16-11-7-10(17-18-11)8-3-5-9(6-4-8)12(13,14)15/h3-6,10-11,16-18H,2,7H2,1H3
InChIKeyKFWWJKOTNOQGLT-UHFFFAOYSA-N
MW259.27 g/mol
LogP2.18
Rot. Bonds3

About N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine

N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine (PubChem CID 76985726) has the molecular formula C12H16F3N3 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine.

Molecular Properties

Compound NameN-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine
PubChem CID76985726
Molecular FormulaC12H16F3N3
Molecular Weight259.27 g/mol
Exact Mass259.13
IUPAC NameN-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine
SMILESCCNC1CC(c2ccc(C(F)(F)F)cc2)NN1
InChIInChI=1S/C12H16F3N3/c1-2-16-11-7-10(17-18-11)8-3-5-9(6-4-8)12(13,14)15/h3-6,10-11,16-18H,2,7H2,1H3
InChIKeyKFWWJKOTNOQGLT-UHFFFAOYSA-N
XLogP2.18
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
The IUPAC name of N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine (CID 76985726) is N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine.
What is the SMILES notation for N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
The canonical SMILES for N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine is CCNC1CC(c2ccc(C(F)(F)F)cc2)NN1.
What is the InChIKey of N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
The InChIKey is KFWWJKOTNOQGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F3N3/c1-2-16-11-7-10(17-18-11)8-3-5-9(6-4-8)12(13,14)15/h3-6,10-11,16-18H,2,7H2,1H3.
What are the key properties of N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine?
N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine has a molecular weight of 259.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-[4-(trifluoromethyl)phenyl]pyrazolidin-3-amine is sourced from PubChem (CID 76985726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).