1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine

C9H10F8N4 — CID 536804

IUPAC1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine
SMILESCN(C)Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C9H10F8N4/c1-20(2)19-6-4(8(12,13)14)5(18-21(6)3)7(10,11)9(15,16)17/h19H,1-3H3
InChIKeyRGUKLSVDJHNKGT-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.98
Rot. Bonds3

About 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine

1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine (PubChem CID 536804) has the molecular formula C9H10F8N4 and a molecular weight of 326.19 g/mol. Its IUPAC name is 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine.

Molecular Properties

Compound Name1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine
PubChem CID536804
Molecular FormulaC9H10F8N4
Molecular Weight326.19 g/mol
Exact Mass326.08
IUPAC Name1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine
SMILESCN(C)Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C9H10F8N4/c1-20(2)19-6-4(8(12,13)14)5(18-21(6)3)7(10,11)9(15,16)17/h19H,1-3H3
InChIKeyRGUKLSVDJHNKGT-UHFFFAOYSA-N
XLogP2.98
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-2,4-dimethyl-2H-pyrazol-3-ylamine hydrochloride
CID 16192886
3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine
CID 1128420
Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
Pyrazole, 3-pentafluoroethyl-4-trifluoromethyl-1-methyl-5-methylamino-
CID 626727
1-Methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazol-5-amine
CID 22101084
5,5-difluoro-2-methyl-4,5,6,7-tetrahydro-2H-indazol-3-amine
CID 165463441
3,4-Diethyl-1-methyl-1H-pyrazol-5-amine
CID 28064035
1,4-dimethyl-3-(pentafluoroethyl)-1H-pyrazole-5-amine
CID 58542574
5-Azido-1-methyl-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole
CID 86697095
N-[2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-3-yl]methanimine
CID 89822791
4-ethyl-N,1-dimethyl-N-(methyldiazenyl)-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-amine
CID 123214339
Methylidene-[2-methyl-5-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-3-yl]iminoazanium
CID 123702962

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine?
The IUPAC name of 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine (CID 536804) is 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine.
What is the SMILES notation for 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine?
The canonical SMILES for 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine is CN(C)Nc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C.
What is the InChIKey of 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine?
The InChIKey is RGUKLSVDJHNKGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F8N4/c1-20(2)19-6-4(8(12,13)14)5(18-21(6)3)7(10,11)9(15,16)17/h19H,1-3H3.
What are the key properties of 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine?
1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine has a molecular weight of 326.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-2-[1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-yl]hydrazine is sourced from PubChem (CID 536804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).