4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C13H23F3N4 — CID 63794366

IUPAC4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CC(C)N)c(C)nn1C
InChIInChI=1S/C13H23F3N4/c1-5-6-20(8-13(14,15)16)12-11(7-9(2)17)10(3)18-19(12)4/h9H,5-8,17H2,1-4H3
InChIKeyFQZTXJMPXGSJMP-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.40
Rot. Bonds6

About 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 63794366) has the molecular formula C13H23F3N4 and a molecular weight of 292.35 g/mol. Its IUPAC name is 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID63794366
Molecular FormulaC13H23F3N4
Molecular Weight292.35 g/mol
Exact Mass292.19
IUPAC Name4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCCN(CC(F)(F)F)c1c(CC(C)N)c(C)nn1C
InChIInChI=1S/C13H23F3N4/c1-5-6-20(8-13(14,15)16)12-11(7-9(2)17)10(3)18-19(12)4/h9H,5-8,17H2,1-4H3
InChIKeyFQZTXJMPXGSJMP-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-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 63794366) is 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCCN(CC(F)(F)F)c1c(CC(C)N)c(C)nn1C.
What is the InChIKey of 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is FQZTXJMPXGSJMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N4/c1-5-6-20(8-13(14,15)16)12-11(7-9(2)17)10(3)18-19(12)4/h9H,5-8,17H2,1-4H3.
What are the key properties of 4-(2-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(2-aminopropyl)-1,3-dimethyl-N-propyl-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-aminopropyl)-1,3-dimethyl-N-propyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 63794366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).