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

C7H5F8N3 — CID 22101084

IUPAC1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1N
InChIInChI=1S/C7H5F8N3/c1-18-4(16)2(6(10,11)12)3(17-18)5(8,9)7(13,14)15/h16H2,1H3
InChIKeyULWCNDONUYLJNQ-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.68
Rot. Bonds1

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

1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine (PubChem CID 22101084) has the molecular formula C7H5F8N3 and a molecular weight of 283.12 g/mol. Its IUPAC name is 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine.

Molecular Properties

Compound Name1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine
PubChem CID22101084
Molecular FormulaC7H5F8N3
Molecular Weight283.12 g/mol
Exact Mass283.04
IUPAC Name1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine
SMILESCn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1N
InChIInChI=1S/C7H5F8N3/c1-18-4(16)2(6(10,11)12)3(17-18)5(8,9)7(13,14)15/h16H2,1H3
InChIKeyULWCNDONUYLJNQ-UHFFFAOYSA-N
XLogP2.68
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.68
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

2-methyl-2H,4H,5H,6H-cyclopenta[c]pyrazol-3-amine
CID 16227065
5-Ethyl-2,4-dimethyl-2H-pyrazol-3-ylamine hydrochloride
CID 16192886
3-ethyl-1,4-dimethyl-1H-pyrazol-5-amine
CID 1128420
5-Amino-4-cyano-1-methyl-1H-pyrazole-3-acetonitrile
CID 734486
Pyrazole, 5-amino-3-ethyl-1-isopropyl-4-methyl-
CID 210142
1,4-dimethyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 33783361
4-ethyl-1,3-dimethyl-1H-pyrazol-5-amine
CID 6484241
5-(2,2-dimethylhydrazinyl)-1-methyl-3-(pentafluoroethyl)-4-(trifluoromethyl)-1H-pyrazole
CID 536804
Pyrazole, 3-pentafluoroethyl-4-trifluoromethyl-1-methyl-5-methylamino-
CID 626727
5-Fluoro-1-methyl-3-pentafluoroethyl-4-trifluoromethyl-1H-pyrazole
CID 13510273
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The IUPAC name of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine (CID 22101084) is 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine.
What is the SMILES notation for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The canonical SMILES for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine is Cn1nc(C(F)(F)C(F)(F)F)c(C(F)(F)F)c1N.
What is the InChIKey of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
The InChIKey is ULWCNDONUYLJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F8N3/c1-18-4(16)2(6(10,11)12)3(17-18)5(8,9)7(13,14)15/h16H2,1H3.
What are the key properties of 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine?
1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine has a molecular weight of 283.12 g/mol, XLogP of 2.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(1,1,2,2,2-pentafluoroethyl)-4-(trifluoromethyl)pyrazol-5-amine is sourced from PubChem (CID 22101084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).