5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine

C5H4F5N3 — CID 157041852

IUPAC5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine
SMILESNc1cc(C(F)(F)C(F)(F)F)[nH]n1
InChIInChI=1S/C5H4F5N3/c6-4(7,5(8,9)10)2-1-3(11)13-12-2/h1H,(H3,11,12,13)
InChIKeySGNUHLOKTDWSCR-UHFFFAOYSA-N
MW201.10 g/mol
LogP1.65
Rot. Bonds1

About 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine

5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine (PubChem CID 157041852) has the molecular formula C5H4F5N3 and a molecular weight of 201.10 g/mol. Its IUPAC name is 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine
PubChem CID157041852
Molecular FormulaC5H4F5N3
Molecular Weight201.10 g/mol
Exact Mass201.03
IUPAC Name5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine
SMILESNc1cc(C(F)(F)C(F)(F)F)[nH]n1
InChIInChI=1S/C5H4F5N3/c6-4(7,5(8,9)10)2-1-3(11)13-12-2/h1H,(H3,11,12,13)
InChIKeySGNUHLOKTDWSCR-UHFFFAOYSA-N
XLogP1.65
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.10
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Amino-5-tert-butylpyrazole
CID 522787
3,5-bis(difluoromethyl)-1H-pyrazole
CID 7019433
3-ethyl-1H-pyrazol-5-amine
CID 21991095
3-(propan-2-yl)-1H-pyrazol-5-amine
CID 2769527
5-Propyl-1H-pyrazol-3-amine
CID 22265684
3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 19623305
3-(Heptafluoropropyl)-5-methyl-1H-pyrazole
CID 2774945
3-cyclopropyl-1H-pyrazol-5-amine
CID 2758014
3-butyl-1H-pyrazol-5-amine
CID 12209635
5-ethyl-3-(trifluoromethyl)-1H-pyrazole
CID 23006209
3-(2-methylpropyl)-1H-pyrazol-5-amine
CID 23552428
3-(difluoromethyl)-1H-pyrazol-5-amine
CID 50896661

Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine?
The IUPAC name of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine (CID 157041852) is 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine is Nc1cc(C(F)(F)C(F)(F)F)[nH]n1.
What is the InChIKey of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine?
The InChIKey is SGNUHLOKTDWSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F5N3/c6-4(7,5(8,9)10)2-1-3(11)13-12-2/h1H,(H3,11,12,13).
What are the key properties of 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine?
5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine has a molecular weight of 201.10 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,2-pentafluoroethyl)-1H-pyrazol-3-amine is sourced from PubChem (CID 157041852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).