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

C12H10F5N3 — CID 43248561

IUPAC2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
SMILESNC(c1cnn(-c2ccccc2)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F5N3/c13-11(14,12(15,16)17)10(18)8-6-19-20(7-8)9-4-2-1-3-5-9/h1-7,10H,18H2
InChIKeyUXQFMICUWNPUBM-UHFFFAOYSA-N
MW291.22 g/mol
LogP3.07
Rot. Bonds3

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

2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine (PubChem CID 43248561) has the molecular formula C12H10F5N3 and a molecular weight of 291.22 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
PubChem CID43248561
Molecular FormulaC12H10F5N3
Molecular Weight291.22 g/mol
Exact Mass291.08
IUPAC Name2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine
SMILESNC(c1cnn(-c2ccccc2)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H10F5N3/c13-11(14,12(15,16)17)10(18)8-6-19-20(7-8)9-4-2-1-3-5-9/h1-7,10H,18H2
InChIKeyUXQFMICUWNPUBM-UHFFFAOYSA-N
XLogP3.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 53.07
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

3,3,3-trifluoro-2-(1-phenylpyrazol-4-yl)propan-1-amine
CID 82534378
(1-phenylpyrazol-4-yl)methanediol
CID 70397428
(2-fluorophenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 43322500
2,2-difluoro-3-hydroxy-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 62398863
2-methyl-1-(1-phenylpyrazol-4-yl)prop-2-en-1-amine
CID 105163593
1-(1-phenylpyrazol-4-yl)ethylhydrazine
CID 81470645
(Z)-3-fluoro-3-(1-phenylpyrazol-4-yl)prop-1-en-1-ol
CID 174462820
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 60998789
(2-methylsulfanylphenyl)-(1-phenylpyrazol-4-yl)methanamine
CID 79212353
2,2,3,3,3-pentafluoro-1-(4-phenylphenyl)propan-1-amine
CID 43248519
2-(1-phenylpyrazol-4-yl)-2-(2,2,2-trifluoroethylamino)acetic acid
CID 60998462
2-(1-methyltriazol-4-yl)-1-(1-phenylpyrazol-4-yl)ethanamine
CID 107064195

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The IUPAC name of 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine (CID 43248561) is 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The canonical SMILES for 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine is NC(c1cnn(-c2ccccc2)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine?
The InChIKey is UXQFMICUWNPUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F5N3/c13-11(14,12(15,16)17)10(18)8-6-19-20(7-8)9-4-2-1-3-5-9/h1-7,10H,18H2.
What are the key properties of 2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine?
2,2,3,3,3-pentafluoro-1-(1-phenylpyrazol-4-yl)propan-1-amine has a molecular weight of 291.22 g/mol, XLogP of 3.07, 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-1-(1-phenylpyrazol-4-yl)propan-1-amine is sourced from PubChem (CID 43248561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).