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

C8H10F5N3 — CID 43485857

IUPAC2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(c1cnn(C)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5N3/c1-14-6(5-3-15-16(2)4-5)7(9,10)8(11,12)13/h3-4,6,14H,1-2H3
InChIKeyJDQUQPMMEVICOW-UHFFFAOYSA-N
MW243.18 g/mol
LogP1.88
Rot. Bonds3

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

2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine (PubChem CID 43485857) has the molecular formula C8H10F5N3 and a molecular weight of 243.18 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
PubChem CID43485857
Molecular FormulaC8H10F5N3
Molecular Weight243.18 g/mol
Exact Mass243.08
IUPAC Name2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine
SMILESCNC(c1cnn(C)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C8H10F5N3/c1-14-6(5-3-15-16(2)4-5)7(9,10)8(11,12)13/h3-4,6,14H,1-2H3
InChIKeyJDQUQPMMEVICOW-UHFFFAOYSA-N
XLogP1.88
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 51.88
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
(1R,2S)-2-(1-Methyl-1H-pyrazol-4-yl)cyclopropan-1-amine
CID 91647634
cyclobutyl(1-methyl-1H-pyrazol-4-yl)methanamine
CID 43124235

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine (CID 43485857) is 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine is CNC(c1cnn(C)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
The InChIKey is JDQUQPMMEVICOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F5N3/c1-14-6(5-3-15-16(2)4-5)7(9,10)8(11,12)13/h3-4,6,14H,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine?
2,2,3,3,3-pentafluoro-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine has a molecular weight of 243.18 g/mol, XLogP of 1.88, 3 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-N-methyl-1-(1-methylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43485857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).