3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

C9H15F3N4 — CID 66014791

IUPAC3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)CC(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4/c1-4-6-7(13)8(16(3)14-6)15(2)5-9(10,11)12/h4-5,13H2,1-3H3
InChIKeyVUKXNMSAIVSBJB-UHFFFAOYSA-N
MW236.24 g/mol
LogP1.56
Rot. Bonds3

About 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine

3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66014791) has the molecular formula C9H15F3N4 and a molecular weight of 236.24 g/mol. Its IUPAC name is 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66014791
Molecular FormulaC9H15F3N4
Molecular Weight236.24 g/mol
Exact Mass236.12
IUPAC Name3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(N(C)CC(F)(F)F)c1N
InChIInChI=1S/C9H15F3N4/c1-4-6-7(13)8(16(3)14-6)15(2)5-9(10,11)12/h4-5,13H2,1-3H3
InChIKeyVUKXNMSAIVSBJB-UHFFFAOYSA-N
XLogP1.56
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66014791) is 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCc1nn(C)c(N(C)CC(F)(F)F)c1N.
What is the InChIKey of 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is VUKXNMSAIVSBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N4/c1-4-6-7(13)8(16(3)14-6)15(2)5-9(10,11)12/h4-5,13H2,1-3H3.
What are the key properties of 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 236.24 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-N,1-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66014791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).