4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine

C10H17F3N4 — CID 55046268

IUPAC4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
SMILESCCN(Cc1c(C)nn(C)c1N)CC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-4-17(6-10(11,12)13)5-8-7(2)15-16(3)9(8)14/h4-6,14H2,1-3H3
InChIKeyUOQHTVYRHYPVSD-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.69
Rot. Bonds4

About 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine

4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine (PubChem CID 55046268) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
PubChem CID55046268
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Name4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine
SMILESCCN(Cc1c(C)nn(C)c1N)CC(F)(F)F
InChIInChI=1S/C10H17F3N4/c1-4-17(6-10(11,12)13)5-8-7(2)15-16(3)9(8)14/h4-6,14H2,1-3H3
InChIKeyUOQHTVYRHYPVSD-UHFFFAOYSA-N
XLogP1.69
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
The IUPAC name of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine (CID 55046268) is 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine.
What is the SMILES notation for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
The canonical SMILES for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine is CCN(Cc1c(C)nn(C)c1N)CC(F)(F)F.
What is the InChIKey of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
The InChIKey is UOQHTVYRHYPVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N4/c1-4-17(6-10(11,12)13)5-8-7(2)15-16(3)9(8)14/h4-6,14H2,1-3H3.
What are the key properties of 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine?
4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine has a molecular weight of 250.27 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-1,3-dimethylpyrazol-5-amine is sourced from PubChem (CID 55046268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).