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

C11H19F3N4 — CID 55009217

IUPACN-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCN(CC(F)(F)F)c1c(CNC)c(C)nn1C
InChIInChI=1S/C11H19F3N4/c1-5-18(7-11(12,13)14)10-9(6-15-3)8(2)16-17(10)4/h15H,5-7H2,1-4H3
InChIKeyCDGSKAFFEAKUPT-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.84
Rot. Bonds5

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

N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 55009217) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID55009217
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC NameN-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCN(CC(F)(F)F)c1c(CNC)c(C)nn1C
InChIInChI=1S/C11H19F3N4/c1-5-18(7-11(12,13)14)10-9(6-15-3)8(2)16-17(10)4/h15H,5-7H2,1-4H3
InChIKeyCDGSKAFFEAKUPT-UHFFFAOYSA-N
XLogP1.84
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 55009217) is N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCN(CC(F)(F)F)c1c(CNC)c(C)nn1C.
What is the InChIKey of N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is CDGSKAFFEAKUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-5-18(7-11(12,13)14)10-9(6-15-3)8(2)16-17(10)4/h15H,5-7H2,1-4H3.
What are the key properties of N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine has a molecular weight of 264.29 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1,3-dimethyl-4-(methylaminomethyl)-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 55009217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).