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

C10H14F5N3 — CID 43497236

IUPAC2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnn(C)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5N3/c1-3-4-16-8(7-5-17-18(2)6-7)9(11,12)10(13,14)15/h5-6,8,16H,3-4H2,1-2H3
InChIKeyNOTBOAMUQRJTEY-UHFFFAOYSA-N
MW271.23 g/mol
LogP2.66
Rot. Bonds5

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

2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (PubChem CID 43497236) has the molecular formula C10H14F5N3 and a molecular weight of 271.23 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
PubChem CID43497236
Molecular FormulaC10H14F5N3
Molecular Weight271.23 g/mol
Exact Mass271.11
IUPAC Name2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(c1cnn(C)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H14F5N3/c1-3-4-16-8(7-5-17-18(2)6-7)9(11,12)10(13,14)15/h5-6,8,16H,3-4H2,1-2H3
InChIKeyNOTBOAMUQRJTEY-UHFFFAOYSA-N
XLogP2.66
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine with MolForge

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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
4-(1-ethyl-1H-pyrazol-4-yl)piperidine
CID 50987960
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
1-methyl-4-(pyrrolidin-3-yl)-1H-pyrazole
CID 54593929

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine (CID 43497236) is 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine is CCCNC(c1cnn(C)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
The InChIKey is NOTBOAMUQRJTEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F5N3/c1-3-4-16-8(7-5-17-18(2)6-7)9(11,12)10(13,14)15/h5-6,8,16H,3-4H2,1-2H3.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine?
2,2,3,3,3-pentafluoro-1-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine has a molecular weight of 271.23 g/mol, XLogP of 2.66, 5 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)-N-propylpropan-1-amine is sourced from PubChem (CID 43497236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).