2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

C7H8F5N3 — CID 43248553

IUPAC2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(C(N)C(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C7H8F5N3/c1-15-3-4(2-14-15)5(13)6(8,9)7(10,11)12/h2-3,5H,13H2,1H3
InChIKeyLCSZXEVSMWOXII-UHFFFAOYSA-N
MW229.15 g/mol
LogP1.62
Rot. Bonds2

About 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine

2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 43248553) has the molecular formula C7H8F5N3 and a molecular weight of 229.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID43248553
Molecular FormulaC7H8F5N3
Molecular Weight229.15 g/mol
Exact Mass229.06
IUPAC Name2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCn1cc(C(N)C(F)(F)C(F)(F)F)cn1
InChIInChI=1S/C7H8F5N3/c1-15-3-4(2-14-15)5(13)6(8,9)7(10,11)12/h2-3,5H,13H2,1H3
InChIKeyLCSZXEVSMWOXII-UHFFFAOYSA-N
XLogP1.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.15
LogP ≤ 51.62
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

1-methyl-4-(pyrrolidin-2-yl)-1H-pyrazole
CID 25248267
2-(1-methyl-1H-pyrazol-4-yl)piperidine
CID 63085164
rac-(1R,2S)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropan-1-amine dihydrochloride
CID 91647633
1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 23005782
methyl(1-(1-methyl-1H-pyrazol-4-yl)ethyl)amine
CID 23005793
alpha-Ethyl-1-methyl-1H-pyrazole-4-methanamine
CID 23005813
2,2,2-trifluoro-1-(1-methyl-1H-pyrazol-4-yl)ethan-1-amine
CID 43124155
2-methyl-1-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 43124222
alpha,1-Dimethyl-1H-pyrazole-4-ethanamine
CID 43199853
3-(1-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 47003365
(S)-1-(1-Methyl-1H-pyrazol-4-yl)ethan-1-amine hydrochloride
CID 154727281
(1-methyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 53487050

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 43248553) is 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is Cn1cc(C(N)C(F)(F)C(F)(F)F)cn1.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is LCSZXEVSMWOXII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F5N3/c1-15-3-4(2-14-15)5(13)6(8,9)7(10,11)12/h2-3,5H,13H2,1H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine?
2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 229.15 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43248553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).