3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide

C21H17BrFN5O — CID 24625672

IUPAC3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1cccc(F)c1
InChIInChI=1S/C21H17BrFN5O/c1-28-10-9-24-20(28)19(14-3-2-4-16(23)11-14)25-21(29)18-12-17(26-27-18)13-5-7-15(22)8-6-13/h2-12,19H,1H3,(H,25,29)(H,26,27)
InChIKeyUJXLTARKWBPGBP-UHFFFAOYSA-N
MW454.30 g/mol
LogP4.23
Rot. Bonds5

About 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide

3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide (PubChem CID 24625672) has the molecular formula C21H17BrFN5O and a molecular weight of 454.30 g/mol. Its IUPAC name is 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
PubChem CID24625672
Molecular FormulaC21H17BrFN5O
Molecular Weight454.30 g/mol
Exact Mass453.06
IUPAC Name3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide
SMILESCn1ccnc1C(NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1cccc(F)c1
InChIInChI=1S/C21H17BrFN5O/c1-28-10-9-24-20(28)19(14-3-2-4-16(23)11-14)25-21(29)18-12-17(26-27-18)13-5-7-15(22)8-6-13/h2-12,19H,1H3,(H,25,29)(H,26,27)
InChIKeyUJXLTARKWBPGBP-UHFFFAOYSA-N
XLogP4.23
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.30
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1-methylpyrazole-4-carboxamide
CID 31503143
2-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]benzamide
CID 47014672
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]thiophene-3-carboxamide
CID 47014692
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-5-methylpyrazine-2-carboxamide
CID 25356221
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylthiophene-3-carboxamide
CID 47014697
4-chloro-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-iodobenzamide
CID 55685694
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2,5-dimethylfuran-3-carboxamide
CID 47014678
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3,5-dimethoxy-4-methylbenzamide
CID 25341523
N-[(R)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-2-methylfuran-3-carboxamide
CID 25368073
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 112808136
N-[(S)-(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]cyclopropanecarboxamide
CID 25341762
N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-4-methyl-3-pyrrol-1-ylbenzamide
CID 24597988

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide (CID 24625672) is 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide is Cn1ccnc1C(NC(=O)c1cc(-c2ccc(Br)cc2)n[nH]1)c1cccc(F)c1.
What is the InChIKey of 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UJXLTARKWBPGBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrFN5O/c1-28-10-9-24-20(28)19(14-3-2-4-16(23)11-14)25-21(29)18-12-17(26-27-18)13-5-7-15(22)8-6-13/h2-12,19H,1H3,(H,25,29)(H,26,27).
What are the key properties of 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide?
3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 454.30 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-N-[(3-fluorophenyl)-(1-methylimidazol-2-yl)methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 24625672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).