2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine

C12H12F3N3 — CID 115047522

IUPAC2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)cnn1-c1ccccc1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)10-8-17-18(11(10)6-7-16)9-4-2-1-3-5-9/h1-5,8H,6-7,16H2
InChIKeyXNEMNBITLLYCKY-UHFFFAOYSA-N
MW255.24 g/mol
LogP2.39
Rot. Bonds3

About 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine

2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine (PubChem CID 115047522) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine.

Molecular Properties

Compound Name2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine
PubChem CID115047522
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine
SMILESNCCc1c(C(F)(F)F)cnn1-c1ccccc1
InChIInChI=1S/C12H12F3N3/c13-12(14,15)10-8-17-18(11(10)6-7-16)9-4-2-1-3-5-9/h1-5,8H,6-7,16H2
InChIKeyXNEMNBITLLYCKY-UHFFFAOYSA-N
XLogP2.39
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-tert-butyl-1-phenylpyrazol-5-yl)ethanamine
CID 115045090
2-phenylethanamine;1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl chloride
CID 158062941
1-phenyl-5-(trifluoromethyl)pyrazol-4-amine
CID 42609359
2-[4-chloro-1-(4-fluorophenyl)pyrazol-5-yl]ethanamine
CID 83898604
2-(5-amino-1-phenylpyrazol-4-yl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 164662725
2-(4-bromo-1-phenylpyrazol-5-yl)-2,2-difluoroethanamine
CID 115053464
2-(2-phenyl-1,2,4-triazol-3-yl)ethanamine
CID 84661566
2-(3-phenyltriazol-4-yl)ethanamine
CID 82200310
2-[5-methyl-1-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanamine
CID 82305490
2-[4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]ethanamine
CID 164608301
(1-phenyl-5-pyrrol-1-ylpyrazol-4-yl)methanamine
CID 13409751
2-[5-ethyl-1-(3-fluorophenyl)pyrazol-4-yl]ethanamine
CID 82290116

Frequently Asked Questions

What is the IUPAC name of 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The IUPAC name of 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine (CID 115047522) is 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine.
What is the SMILES notation for 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The canonical SMILES for 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine is NCCc1c(C(F)(F)F)cnn1-c1ccccc1.
What is the InChIKey of 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine?
The InChIKey is XNEMNBITLLYCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c13-12(14,15)10-8-17-18(11(10)6-7-16)9-4-2-1-3-5-9/h1-5,8H,6-7,16H2.
What are the key properties of 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine?
2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine has a molecular weight of 255.24 g/mol, XLogP of 2.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-phenyl-4-(trifluoromethyl)pyrazol-5-yl]ethanamine is sourced from PubChem (CID 115047522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).