1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

C23H25BrN4O2 — CID 55892348

IUPAC1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C23H25BrN4O2/c1-5-23(3,4)27-21(29)16-6-10-18(11-7-16)26-22(30)20-14-25-28(15(20)2)19-12-8-17(24)9-13-19/h6-14H,5H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyAADNZTKOQNOZPD-UHFFFAOYSA-N
MW469.38 g/mol
LogP5.11
Rot. Bonds6

About 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide

1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (PubChem CID 55892348) has the molecular formula C23H25BrN4O2 and a molecular weight of 469.38 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
PubChem CID55892348
Molecular FormulaC23H25BrN4O2
Molecular Weight469.38 g/mol
Exact Mass468.12
IUPAC Name1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide
SMILESCCC(C)(C)NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1
InChIInChI=1S/C23H25BrN4O2/c1-5-23(3,4)27-21(29)16-6-10-18(11-7-16)26-22(30)20-14-25-28(15(20)2)19-12-8-17(24)9-13-19/h6-14H,5H2,1-4H3,(H,26,30)(H,27,29)
InChIKeyAADNZTKOQNOZPD-UHFFFAOYSA-N
XLogP5.11
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.38
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
1-(4-fluorophenyl)-5-methyl-N-(2-methylbutan-2-yl)pyrazole-4-carboxamide
CID 37133499
5-methyl-N-(2-methylbutan-2-yl)-1-phenylpyrazole-4-carboxamide
CID 46554811
1-(4-bromophenyl)-N-[4-(cyanomethyl)phenyl]-5-methylpyrazole-4-carboxamide
CID 33325210
1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
CID 55658006
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 46562409
N-[4-(diethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 39694099
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119607007
ethyl 5-methyl-1-[4-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55683117
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-bromophenyl)-N-(3-methoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 36704733

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide (CID 55892348) is 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is CCC(C)(C)NC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(Br)cc3)c2C)cc1.
What is the InChIKey of 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
The InChIKey is AADNZTKOQNOZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25BrN4O2/c1-5-23(3,4)27-21(29)16-6-10-18(11-7-16)26-22(30)20-14-25-28(15(20)2)19-12-8-17(24)9-13-19/h6-14H,5H2,1-4H3,(H,26,30)(H,27,29).
What are the key properties of 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide?
1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide has a molecular weight of 469.38 g/mol, XLogP of 5.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-5-methyl-N-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 55892348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).