4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

C11H19F3N4 — CID 60891775

IUPAC4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-5-15-6-9-8(2)16-18(4)10(9)17(3)7-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyZSUOJEILJYCIBS-UHFFFAOYSA-N
MW264.29 g/mol
LogP1.84
Rot. Bonds5

About 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine

4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (PubChem CID 60891775) has the molecular formula C11H19F3N4 and a molecular weight of 264.29 g/mol. Its IUPAC name is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
PubChem CID60891775
Molecular FormulaC11H19F3N4
Molecular Weight264.29 g/mol
Exact Mass264.16
IUPAC Name4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine
SMILESCCNCc1c(C)nn(C)c1N(C)CC(F)(F)F
InChIInChI=1S/C11H19F3N4/c1-5-15-6-9-8(2)16-18(4)10(9)17(3)7-11(12,13)14/h15H,5-7H2,1-4H3
InChIKeyZSUOJEILJYCIBS-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 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The IUPAC name of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine (CID 60891775) is 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The canonical SMILES for 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is CCNCc1c(C)nn(C)c1N(C)CC(F)(F)F.
What is the InChIKey of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
The InChIKey is ZSUOJEILJYCIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N4/c1-5-15-6-9-8(2)16-18(4)10(9)17(3)7-11(12,13)14/h15H,5-7H2,1-4H3.
What are the key properties of 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine?
4-(ethylaminomethyl)-N,1,3-trimethyl-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 4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2,2,2-trifluoroethyl)pyrazol-5-amine is sourced from PubChem (CID 60891775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).