N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

C12H18F3N3 — CID 162613537

IUPACN,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESCCN(CC)c1c2c(nn1CC(F)(F)F)CCC2
InChIInChI=1S/C12H18F3N3/c1-3-17(4-2)11-9-6-5-7-10(9)16-18(11)8-12(13,14)15/h3-8H2,1-2H3
InChIKeyPPGJEYAVJJAQAB-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.78
Rot. Bonds4

About N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine

N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (PubChem CID 162613537) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.

Molecular Properties

Compound NameN,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
PubChem CID162613537
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC NameN,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine
SMILESCCN(CC)c1c2c(nn1CC(F)(F)F)CCC2
InChIInChI=1S/C12H18F3N3/c1-3-17(4-2)11-9-6-5-7-10(9)16-18(11)8-12(13,14)15/h3-8H2,1-2H3
InChIKeyPPGJEYAVJJAQAB-UHFFFAOYSA-N
XLogP2.78
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The IUPAC name of N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine (CID 162613537) is N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine.
What is the SMILES notation for N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The canonical SMILES for N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is CCN(CC)c1c2c(nn1CC(F)(F)F)CCC2.
What is the InChIKey of N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
The InChIKey is PPGJEYAVJJAQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-3-17(4-2)11-9-6-5-7-10(9)16-18(11)8-12(13,14)15/h3-8H2,1-2H3.
What are the key properties of N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine?
N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine has a molecular weight of 261.29 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(2,2,2-trifluoroethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-amine is sourced from PubChem (CID 162613537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).