N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide

C16H9BrF4N4O — CID 10646229

IUPACN-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2Br)cc1)c1ccncc1F
InChIInChI=1S/C16H9BrF4N4O/c17-14-7-13(16(19,20)21)24-25(14)10-3-1-9(2-4-10)23-15(26)11-5-6-22-8-12(11)18/h1-8H,(H,23,26)
InChIKeyCGFLXAHWZOODHH-UHFFFAOYSA-N
MW429.17 g/mol
LogP4.44
Rot. Bonds3

About N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide

N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 10646229) has the molecular formula C16H9BrF4N4O and a molecular weight of 429.17 g/mol. Its IUPAC name is N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID10646229
Molecular FormulaC16H9BrF4N4O
Molecular Weight429.17 g/mol
Exact Mass427.99
IUPAC NameN-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
SMILESO=C(Nc1ccc(-n2nc(C(F)(F)F)cc2Br)cc1)c1ccncc1F
InChIInChI=1S/C16H9BrF4N4O/c17-14-7-13(16(19,20)21)24-25(14)10-3-1-9(2-4-10)23-15(26)11-5-6-22-8-12(11)18/h1-8H,(H,23,26)
InChIKeyCGFLXAHWZOODHH-UHFFFAOYSA-N
XLogP4.44
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.17
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-(3,5-Bis(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)-3-fluoroisonicotinamide
CID 10598093
N-[4-(4-bromo-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 6463138
N-(4-{N-[(4-bromo-1-methyl-1H-pyrazol-3-yl)carbonyl]ethanehydrazonoyl}phenyl)isonicotinamide
CID 5454901
N-(4-(3-(pyridin-3-yl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)phenyl)benzamide
CID 52942123
N-[4-(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)phenyl]isonicotinamide
CID 23723986
N-[4-[3,5-Bis(trifluoromethyl)-1H-pyrazole-1-yl]phenyl]pyridine-4-carboxamide
CID 9843907
4,6-Dimethyl-4'-[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]nicotinanilide
CID 9888801
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]-2-chloropyridine-3-carboxamide
CID 10137808
N-[4-[3,5-bis(trifluoromethyl)pyrazol-1-yl]phenyl]pyridine-3-carboxamide
CID 10222604
N-[4-[3-(Trifluoromethyl)-5-(methylthio)-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10524777
N-[4-[3-(Trifluoromethyl)-5-chloro-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10715078
N-[4-[3-(Trifluoromethyl)-5-cyano-1H-pyrazole-1-yl]phenyl]-3-fluoropyridine-4-carboxamide
CID 10809455

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide (CID 10646229) is N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide is O=C(Nc1ccc(-n2nc(C(F)(F)F)cc2Br)cc1)c1ccncc1F.
What is the InChIKey of N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is CGFLXAHWZOODHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrF4N4O/c17-14-7-13(16(19,20)21)24-25(14)10-3-1-9(2-4-10)23-15(26)11-5-6-22-8-12(11)18/h1-8H,(H,23,26).
What are the key properties of N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 429.17 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-bromo-3-(trifluoromethyl)pyrazol-1-yl]phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 10646229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).