4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide

C23H21BrFN5O — CID 19399948

IUPAC4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3cnn(Cc4ccccc4F)c3)cc2)c(C)c1Br
InChIInChI=1S/C23H21BrFN5O/c1-15-22(24)16(2)30(28-15)12-17-7-9-18(10-8-17)23(31)27-20-11-26-29(14-20)13-19-5-3-4-6-21(19)25/h3-11,14H,12-13H2,1-2H3,(H,27,31)
InChIKeyGGRXOAIDEPRHCD-UHFFFAOYSA-N
MW482.36 g/mol
LogP4.95
Rot. Bonds6

About 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide

4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 19399948) has the molecular formula C23H21BrFN5O and a molecular weight of 482.36 g/mol. Its IUPAC name is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID19399948
Molecular FormulaC23H21BrFN5O
Molecular Weight482.36 g/mol
Exact Mass481.09
IUPAC Name4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
SMILESCc1nn(Cc2ccc(C(=O)Nc3cnn(Cc4ccccc4F)c3)cc2)c(C)c1Br
InChIInChI=1S/C23H21BrFN5O/c1-15-22(24)16(2)30(28-15)12-17-7-9-18(10-8-17)23(31)27-20-11-26-29(14-20)13-19-5-3-4-6-21(19)25/h3-11,14H,12-13H2,1-2H3,(H,27,31)
InChIKeyGGRXOAIDEPRHCD-UHFFFAOYSA-N
XLogP4.95
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399975
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-(2-fluorophenyl)benzamide
CID 35323608
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19448414
4-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19407710
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-methylphenyl)methyl]pyrazol-4-yl]benzamide
CID 19336255
4-[(4-chloro-3,5-dimethylphenoxy)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399942
5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]furan-2-carboxamide
CID 19454866
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340555
3-(dimethylamino)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 35590668
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]propanamide
CID 19564238
3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(3-chlorophenoxy)methyl]pyrazol-4-yl]benzamide
CID 19408561
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-1-ethylpyrazole-4-carboxamide
CID 19281060

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide (CID 19399948) is 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide is Cc1nn(Cc2ccc(C(=O)Nc3cnn(Cc4ccccc4F)c3)cc2)c(C)c1Br.
What is the InChIKey of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is GGRXOAIDEPRHCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrFN5O/c1-15-22(24)16(2)30(28-15)12-17-7-9-18(10-8-17)23(31)27-20-11-26-29(14-20)13-19-5-3-4-6-21(19)25/h3-11,14H,12-13H2,1-2H3,(H,27,31).
What are the key properties of 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide?
4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 482.36 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 19399948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).