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

C8H13F3N4 — CID 66016162

IUPAC3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4/c1-3-5-6(12)7(15(2)14-5)13-4-8(9,10)11/h13H,3-4,12H2,1-2H3
InChIKeyHIPQMYRDPDPESX-UHFFFAOYSA-N
MW222.21 g/mol
LogP1.54
Rot. Bonds3

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

3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (PubChem CID 66016162) has the molecular formula C8H13F3N4 and a molecular weight of 222.21 g/mol. Its IUPAC name is 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.

Molecular Properties

Compound Name3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
PubChem CID66016162
Molecular FormulaC8H13F3N4
Molecular Weight222.21 g/mol
Exact Mass222.11
IUPAC Name3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
SMILESCCc1nn(C)c(NCC(F)(F)F)c1N
InChIInChI=1S/C8H13F3N4/c1-3-5-6(12)7(15(2)14-5)13-4-8(9,10)11/h13H,3-4,12H2,1-2H3
InChIKeyHIPQMYRDPDPESX-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N5-ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine hydrochloride
CID 154857210
N5-Ethyl-1,3-dimethyl-1H-pyrazole-4,5-diamine
CID 43554024
N-methyl-3-propyl-1-(2,2,2-trifluoroethyl)pyrazol-5-amine
CID 57139999
5-(1,1-difluoroethyl)-1-ethyl-N-methylpyrazol-3-amine
CID 129045310
1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 43554056
1,3-dimethyl-5-N-propyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011252
5-N-cyclopropyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011492
1,3-dimethyl-5-N-propan-2-yl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 55011693
5-N,1,3-trimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 60892121
5-N-ethyl-1,3-dimethyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine
CID 61602950
1,3-Dimethyl-5-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazol-4-amine
CID 62967525
1,3-dimethyl-5-N-(3,3,3-trifluoropropyl)pyrazole-4,5-diamine
CID 63226212

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The IUPAC name of 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine (CID 66016162) is 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine.
What is the SMILES notation for 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The canonical SMILES for 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is CCc1nn(C)c(NCC(F)(F)F)c1N.
What is the InChIKey of 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
The InChIKey is HIPQMYRDPDPESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N4/c1-3-5-6(12)7(15(2)14-5)13-4-8(9,10)11/h13H,3-4,12H2,1-2H3.
What are the key properties of 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine?
3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine has a molecular weight of 222.21 g/mol, XLogP of 1.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-methyl-5-N-(2,2,2-trifluoroethyl)pyrazole-4,5-diamine is sourced from PubChem (CID 66016162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).