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

C8H13F3N4 — CID 66012005

IUPAC1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-3-15-7(6(12)5(2)14-15)13-4-8(9,10)11/h13H,3-4,12H2,1-2H3
InChIKeyYEBJRTHPBZYHSH-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.77
Rot. Bonds3

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

1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66012005) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66012005
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCn1nc(C)c(N)c1NCC(F)(F)F
InChIInChI=1S/C8H13F3N4/c1-3-15-7(6(12)5(2)14-15)13-4-8(9,10)11/h13H,3-4,12H2,1-2H3
InChIKeyYEBJRTHPBZYHSH-UHFFFAOYSA-N
XLogP1.77
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66012005) is 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCn1nc(C)c(N)c1NCC(F)(F)F.
What is the InChIKey of 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is YEBJRTHPBZYHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-3-15-7(6(12)5(2)14-15)13-4-8(9,10)11/h13H,3-4,12H2,1-2H3.
What are the key properties of 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 222.21 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66012005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).