4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole

C12H10BrF3N2 — CID 175818339

IUPAC4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
SMILESC[C@H](c1cccc(C(F)(F)F)c1)n1cc(Br)cn1
InChIInChI=1S/C12H10BrF3N2/c1-8(18-7-11(13)6-17-18)9-3-2-4-10(5-9)12(14,15)16/h2-8H,1H3/t8-/m1/s1
InChIKeyZKBOKGAAUJPRRA-MRVPVSSYSA-N
MW319.12 g/mol
LogP4.27
Rot. Bonds2

About 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole

4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole (PubChem CID 175818339) has the molecular formula C12H10BrF3N2 and a molecular weight of 319.12 g/mol. Its IUPAC name is 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole.

Molecular Properties

Compound Name4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
PubChem CID175818339
Molecular FormulaC12H10BrF3N2
Molecular Weight319.12 g/mol
Exact Mass318.00
IUPAC Name4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
SMILESC[C@H](c1cccc(C(F)(F)F)c1)n1cc(Br)cn1
InChIInChI=1S/C12H10BrF3N2/c1-8(18-7-11(13)6-17-18)9-3-2-4-10(5-9)12(14,15)16/h2-8H,1H3/t8-/m1/s1
InChIKeyZKBOKGAAUJPRRA-MRVPVSSYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.12
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole
CID 141400158
N-[5-[1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazol-4-yl]-1H-indol-3-yl]acetamide
CID 170336720
2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]propanamide
CID 19537723
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
4-bromo-N-[1-[3-(trifluoromethyl)phenyl]ethyl]aniline
CID 43110480
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
3-(4-bromopyrazol-1-yl)-2-methyl-N-[3-(trifluoromethyl)phenyl]propanamide
CID 4865431
[(5-bromo-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105267889
CID 162573398
CID 162573398
2-(4-bromopyrazol-1-yl)-N-[3-nitro-5-[3-(trifluoromethyl)phenoxy]phenyl]butanamide
CID 19551489
(3,5-dibromophenyl)-[3-(trifluoromethyl)phenyl]methanamine
CID 107974770

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
The IUPAC name of 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole (CID 175818339) is 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole.
What is the SMILES notation for 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
The canonical SMILES for 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole is C[C@H](c1cccc(C(F)(F)F)c1)n1cc(Br)cn1.
What is the InChIKey of 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
The InChIKey is ZKBOKGAAUJPRRA-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H10BrF3N2/c1-8(18-7-11(13)6-17-18)9-3-2-4-10(5-9)12(14,15)16/h2-8H,1H3/t8-/m1/s1.
What are the key properties of 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole?
4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole has a molecular weight of 319.12 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrazole is sourced from PubChem (CID 175818339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).