1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide

C23H18BrN5O3 — CID 60616920

IUPAC1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H18BrN5O3/c1-14-20(13-27-29(14)18-8-5-16(24)6-9-18)23(31)28-17-7-10-21(26-12-17)32-19-4-2-3-15(11-19)22(25)30/h2-13H,1H3,(H2,25,30)(H,28,31)
InChIKeyFBWCXJXTQMKORF-UHFFFAOYSA-N
MW492.33 g/mol
LogP4.48
Rot. Bonds6

About 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide

1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide (PubChem CID 60616920) has the molecular formula C23H18BrN5O3 and a molecular weight of 492.33 g/mol. Its IUPAC name is 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
PubChem CID60616920
Molecular FormulaC23H18BrN5O3
Molecular Weight492.33 g/mol
Exact Mass491.06
IUPAC Name1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide
SMILESCc1c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cnn1-c1ccc(Br)cc1
InChIInChI=1S/C23H18BrN5O3/c1-14-20(13-27-29(14)18-8-5-16(24)6-9-18)23(31)28-17-7-10-21(26-12-17)32-19-4-2-3-15(11-19)22(25)30/h2-13H,1H3,(H2,25,30)(H,28,31)
InChIKeyFBWCXJXTQMKORF-UHFFFAOYSA-N
XLogP4.48
TPSA112.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.33
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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1-(4-bromophenyl)-N-[4-(2-methoxyethoxy)phenyl]-5-methylpyrazole-4-carboxamide
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CID 46541313
1-(4-bromophenyl)-5-methyl-N-[4-(1,2,4-triazol-1-yl)phenyl]pyrazole-4-carboxamide
CID 37120145
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide?
The IUPAC name of 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide (CID 60616920) is 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide.
What is the SMILES notation for 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide?
The canonical SMILES for 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide is Cc1c(C(=O)Nc2ccc(Oc3cccc(C(N)=O)c3)nc2)cnn1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide?
The InChIKey is FBWCXJXTQMKORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18BrN5O3/c1-14-20(13-27-29(14)18-8-5-16(24)6-9-18)23(31)28-17-7-10-21(26-12-17)32-19-4-2-3-15(11-19)22(25)30/h2-13H,1H3,(H2,25,30)(H,28,31).
What are the key properties of 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide?
1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide has a molecular weight of 492.33 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-N-[6-(3-carbamoylphenoxy)-3-pyridinyl]-5-methylpyrazole-4-carboxamide is sourced from PubChem (CID 60616920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).