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

C7H11F3N4 — CID 114996060

IUPAC4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
SMILESCCN(CC(F)(F)F)c1cn[nH]c1N
InChIInChI=1S/C7H11F3N4/c1-2-14(4-7(8,9)10)5-3-12-13-6(5)11/h3H,2,4H2,1H3,(H3,11,12,13)
InChIKeyISMLXZXWWYGTFR-UHFFFAOYSA-N
MW208.19 g/mol
LogP1.38
Rot. Bonds3

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

4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine (PubChem CID 114996060) has the molecular formula C7H11F3N4 and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
PubChem CID114996060
Molecular FormulaC7H11F3N4
Molecular Weight208.19 g/mol
Exact Mass208.09
IUPAC Name4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine
SMILESCCN(CC(F)(F)F)c1cn[nH]c1N
InChIInChI=1S/C7H11F3N4/c1-2-14(4-7(8,9)10)5-3-12-13-6(5)11/h3H,2,4H2,1H3,(H3,11,12,13)
InChIKeyISMLXZXWWYGTFR-UHFFFAOYSA-N
XLogP1.38
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The IUPAC name of 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine (CID 114996060) is 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine is CCN(CC(F)(F)F)c1cn[nH]c1N.
What is the InChIKey of 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
The InChIKey is ISMLXZXWWYGTFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3N4/c1-2-14(4-7(8,9)10)5-3-12-13-6(5)11/h3H,2,4H2,1H3,(H3,11,12,13).
What are the key properties of 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine?
4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine has a molecular weight of 208.19 g/mol, XLogP of 1.38, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4,5-diamine is sourced from PubChem (CID 114996060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).