N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

C17H17BrF3N3O — CID 55777756

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H17BrF3N3O/c18-13-9-22-24(10-13)15-7-2-1-6-14(15)23-16(25)11-4-3-5-12(8-11)17(19,20)21/h1-2,6-7,9-12H,3-5,8H2,(H,23,25)
InChIKeyLWHMFHMJSTUNDW-UHFFFAOYSA-N
MW416.24 g/mol
LogP4.94
Rot. Bonds3

About N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (PubChem CID 55777756) has the molecular formula C17H17BrF3N3O and a molecular weight of 416.24 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
PubChem CID55777756
Molecular FormulaC17H17BrF3N3O
Molecular Weight416.24 g/mol
Exact Mass415.05
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)C1CCCC(C(F)(F)F)C1
InChIInChI=1S/C17H17BrF3N3O/c18-13-9-22-24(10-13)15-7-2-1-6-14(15)23-16(25)11-4-3-5-12(8-11)17(19,20)21/h1-2,6-7,9-12H,3-5,8H2,(H,23,25)
InChIKeyLWHMFHMJSTUNDW-UHFFFAOYSA-N
XLogP4.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.24
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[2-(4-bromopyrazol-1-yl)phenyl]-1-N,1-N-dimethylpiperidine-1,4-dicarboxamide
CID 55764236
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596
trans-(1S,3S)-N-(2-cyanophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 95568627
N-(5-bromo-2-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 115281171
N-[2-(methylaminomethyl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 119437919
N-(3-chloro-2-methylphenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 46485912
N-(2-bromo-5-fluorophenyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103753587
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 154836216
N-(2,6-difluoro-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 103097942
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(hydroxymethyl)piperidine-1-carboxamide
CID 51118797
1-N,3-N-bis(2-pyrrolidin-1-ylphenyl)cyclohexane-1,3-dicarboxamide
CID 60596479
N-(6-amino-3-pyridinyl)-3-(trifluoromethyl)cyclohexane-1-carboxamide;hydrochloride
CID 119515799

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide (CID 55777756) is N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is O=C(Nc1ccccc1-n1cc(Br)cn1)C1CCCC(C(F)(F)F)C1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
The InChIKey is LWHMFHMJSTUNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrF3N3O/c18-13-9-22-24(10-13)15-7-2-1-6-14(15)23-16(25)11-4-3-5-12(8-11)17(19,20)21/h1-2,6-7,9-12H,3-5,8H2,(H,23,25).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide has a molecular weight of 416.24 g/mol, XLogP of 4.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 55777756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).