5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

C18H13BrF3N3O — CID 71824502

IUPAC5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1cccc(Br)c1
InChIInChI=1S/C18H13BrF3N3O/c19-13-6-3-5-11(8-13)16-14(10-24-25-16)17(26)23-9-12-4-1-2-7-15(12)18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25)
InChIKeyQDFWYUQMWCNXBX-UHFFFAOYSA-N
MW424.22 g/mol
LogP4.79
Rot. Bonds4

About 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide

5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (PubChem CID 71824502) has the molecular formula C18H13BrF3N3O and a molecular weight of 424.22 g/mol. Its IUPAC name is 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
PubChem CID71824502
Molecular FormulaC18H13BrF3N3O
Molecular Weight424.22 g/mol
Exact Mass423.02
IUPAC Name5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1cccc(Br)c1
InChIInChI=1S/C18H13BrF3N3O/c19-13-6-3-5-11(8-13)16-14(10-24-25-16)17(26)23-9-12-4-1-2-7-15(12)18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25)
InChIKeyQDFWYUQMWCNXBX-UHFFFAOYSA-N
XLogP4.79
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.22
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-bromophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824478
5-(3-methoxyphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824347
5-(3-methylphenyl)-N-[[4-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 71824448
5-(4-methylphenyl)-N-[(2-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824609
5-(3-bromophenyl)-N-cyclopentyl-1H-pyrazole-4-carboxamide
CID 71824533
N-benzyl-5-(3-methylphenyl)-1H-pyrazole-4-carboxamide
CID 53490368
3-(3-chlorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-5-carboxamide
CID 46920548
5-(3-chlorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)-1H-pyrazole-4-carboxamide
CID 166233960
2-iodo-N-[[2-(trifluoromethyl)phenyl]methyl]benzamide
CID 60738967
5-phenyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide
CID 25342036
2-(3-bromophenoxy)-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 45147934
5-(3-chlorophenyl)-N-[(3-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824675

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide (CID 71824502) is 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is O=C(NCc1ccccc1C(F)(F)F)c1cn[nH]c1-c1cccc(Br)c1.
What is the InChIKey of 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is QDFWYUQMWCNXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrF3N3O/c19-13-6-3-5-11(8-13)16-14(10-24-25-16)17(26)23-9-12-4-1-2-7-15(12)18(20,21)22/h1-8,10H,9H2,(H,23,26)(H,24,25).
What are the key properties of 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide?
5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 424.22 g/mol, XLogP of 4.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 71824502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).