N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

C16H10BrF3N4O — CID 31972467

IUPACN-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C16H10BrF3N4O/c17-10-4-6-11(7-5-10)23-15(25)12-9-22-24(14(12)16(18,19)20)13-3-1-2-8-21-13/h1-9H,(H,23,25)
InChIKeyZUPZRUVGDGIWEL-UHFFFAOYSA-N
MW411.18 g/mol
LogP4.30
Rot. Bonds3

About N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide

N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 31972467) has the molecular formula C16H10BrF3N4O and a molecular weight of 411.18 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID31972467
Molecular FormulaC16H10BrF3N4O
Molecular Weight411.18 g/mol
Exact Mass410.00
IUPAC NameN-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1cnn(-c2ccccn2)c1C(F)(F)F
InChIInChI=1S/C16H10BrF3N4O/c17-10-4-6-11(7-5-10)23-15(25)12-9-22-24(14(12)16(18,19)20)13-3-1-2-8-21-13/h1-9H,(H,23,25)
InChIKeyZUPZRUVGDGIWEL-UHFFFAOYSA-N
XLogP4.30
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.18
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-propan-2-ylphenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 39892892
N-pyridin-4-yl-5-(trifluoromethyl)-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxamide
CID 39953963
2-methyl-1-[1-pyridin-2-yl-5-(trifluoromethyl)pyrazol-4-yl]propan-1-one
CID 137413391
5-methyl-1-pyridin-2-yl-N-[4-(trifluoromethoxy)phenyl]pyrazole-4-carboxamide
CID 15944140
2-[4-bromo-5-(trifluoromethyl)pyrazol-1-yl]pyridine
CID 29078485
N-(4-chlorophenyl)-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 2807979
N-[4-[(2-amino-3-cyano-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816410
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 31911009
N-(5-bromo-2-pyridinyl)-1-(2-fluorophenyl)-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 112813800
N-[4-bromo-3-(trifluoromethyl)phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 24665224
N-[4-[(2-amino-3-cyclopropyl-4-pyridinyl)oxy]-3,5-difluorophenyl]-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171816355
1-(4-methylphenyl)-N-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 51284928

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide (CID 31972467) is N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is O=C(Nc1ccc(Br)cc1)c1cnn(-c2ccccn2)c1C(F)(F)F.
What is the InChIKey of N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is ZUPZRUVGDGIWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrF3N4O/c17-10-4-6-11(7-5-10)23-15(25)12-9-22-24(14(12)16(18,19)20)13-3-1-2-8-21-13/h1-9H,(H,23,25).
What are the key properties of N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide?
N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 411.18 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-pyridin-2-yl-5-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 31972467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).