1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine

C16H12F3N3 — CID 71287829

IUPAC1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-6-4-5-11(9-12)14-10-15(20)21-22(14)13-7-2-1-3-8-13/h1-10H,(H2,20,21)
InChIKeyRDEJCNLUCPVGJQ-UHFFFAOYSA-N
MW303.29 g/mol
LogP4.14
Rot. Bonds2

About 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine

1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine (PubChem CID 71287829) has the molecular formula C16H12F3N3 and a molecular weight of 303.29 g/mol. Its IUPAC name is 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
PubChem CID71287829
Molecular FormulaC16H12F3N3
Molecular Weight303.29 g/mol
Exact Mass303.10
IUPAC Name1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine
SMILESNc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccccc2)n1
InChIInChI=1S/C16H12F3N3/c17-16(18,19)12-6-4-5-11(9-12)14-10-15(20)21-22(14)13-7-2-1-3-8-13/h1-10H,(H2,20,21)
InChIKeyRDEJCNLUCPVGJQ-UHFFFAOYSA-N
XLogP4.14
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-but-1-en-2-yl-1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazole
CID 130286644
1-phenyl-4-[3-(trifluoromethyl)phenyl]pyrazol-5-amine
CID 4593193
5-[3-(1,1-difluoropropyl)phenyl]-3-methyl-1-phenylpyrazole
CID 130286022
3,3-difluoro-3-[3-(5-methyl-2-phenylpyrazol-3-yl)phenyl]propanenitrile
CID 144542925
3-(4-methoxyphenyl)-5-phenyl-1-[3-(trifluoromethyl)phenyl]pyrazole
CID 16751865
2-methyl-5-[1-phenyl-3-(trifluoromethyl)pyrazol-5-yl]aniline
CID 89423560
6-[3-(trifluoromethyl)phenyl]-1,2,4,5-tetrazin-3-amine
CID 12535593
ethyl 1-(3-chlorophenyl)-5-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxylate
CID 58345406
5-[3-chloro-5-[(1R)-1-(2,2,2-trifluoroethoxy)ethyl]phenyl]-1-phenylpyrazol-3-amine
CID 150105419
1,3-bis[3-(trifluoromethyl)phenyl]indazole
CID 21044944
1-(4-fluorophenyl)-5-[3-(1,1,1-trifluoropropan-2-yloxymethyl)phenyl]pyrazol-3-amine
CID 89465816
5-iodo-1-phenylpyrazol-3-amine;1-phenyl-5-[3-(2,2,2-trifluoroethoxymethyl)phenyl]pyrazol-3-amine;4,4,5,5-tetramethyl-2-[3-(2,2,2-trifluoroethoxymethyl)phenyl]-1,3,2-dioxaborolane
CID 158643339

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The IUPAC name of 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine (CID 71287829) is 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine.
What is the SMILES notation for 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The canonical SMILES for 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine is Nc1cc(-c2cccc(C(F)(F)F)c2)n(-c2ccccc2)n1.
What is the InChIKey of 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
The InChIKey is RDEJCNLUCPVGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3/c17-16(18,19)12-6-4-5-11(9-12)14-10-15(20)21-22(14)13-7-2-1-3-8-13/h1-10H,(H2,20,21).
What are the key properties of 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine?
1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine has a molecular weight of 303.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-5-[3-(trifluoromethyl)phenyl]pyrazol-3-amine is sourced from PubChem (CID 71287829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).