N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine

C8H7F8N3 — CID 626727

IUPACN,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H7F8N3/c1-17-5-3(7(11,12)13)4(18-19(5)2)6(9,10)8(14,15)16/h17H,1-2H3
InChIKeyFTHPTMXNXSVUIY-UHFFFAOYSA-N
MW297.15 g/mol
LogP3.13
Rot. Bonds2

About N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine

N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine (PubChem CID 626727) has the molecular formula C8H7F8N3 and a molecular weight of 297.15 g/mol. Its IUPAC name is N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound NameN,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine
PubChem CID626727
Molecular FormulaC8H7F8N3
Molecular Weight297.15 g/mol
Exact Mass297.05
IUPAC NameN,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESCNc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C
InChIInChI=1S/C8H7F8N3/c1-17-5-3(7(11,12)13)4(18-19(5)2)6(9,10)8(14,15)16/h17H,1-2H3
InChIKeyFTHPTMXNXSVUIY-UHFFFAOYSA-N
XLogP3.13
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tetrydamine
CID 28446
5-Ethyl-2,4-dimethyl-2H-pyrazol-3-ylamine hydrochloride
CID 16192886
3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine
CID 1128420
5-(2,2-dimethylhydrazinyl)-1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole
CID 536804
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 N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine (CID 626727) is N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine is CNc1c(C(F)(F)F)c(C(F)(F)C(F)(F)F)nn1C.
What is the InChIKey of N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is FTHPTMXNXSVUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F8N3/c1-17-5-3(7(11,12)13)4(18-19(5)2)6(9,10)8(14,15)16/h17H,1-2H3.
What are the key properties of N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 297.15 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 626727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).