4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C13H23F3N4 — CID 63795424

IUPAC4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(CC)CC(F)(F)F
InChIInChI=1S/C13H23F3N4/c1-5-10(17)7-11-9(3)18-19(4)12(11)20(6-2)8-13(14,15)16/h10H,5-8,17H2,1-4H3
InChIKeyCPQDIMBXFDXIMR-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.40
Rot. Bonds6

About 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63795424) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63795424
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCC(N)Cc1c(C)nn(C)c1N(CC)CC(F)(F)F
InChIInChI=1S/C13H23F3N4/c1-5-10(17)7-11-9(3)18-19(4)12(11)20(6-2)8-13(14,15)16/h10H,5-8,17H2,1-4H3
InChIKeyCPQDIMBXFDXIMR-UHFFFAOYSA-N
XLogP2.40
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63795424) is 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCC(N)Cc1c(C)nn(C)c1N(CC)CC(F)(F)F.
What is the InChIKey of 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is CPQDIMBXFDXIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-5-10(17)7-11-9(3)18-19(4)12(11)20(6-2)8-13(14,15)16/h10H,5-8,17H2,1-4H3.
What are the key properties of 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 292.35 g/mol, XLogP of 2.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-N-ethyl-1,3-dimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63795424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).