5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide

C11H11BrN4O — CID 82766729

IUPAC5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H11BrN4O/c1-6-2-3-8(12)9(4-6)15-11(17)7-5-14-16-10(7)13/h2-5H,1H3,(H,15,17)(H3,13,14,16)
InChIKeyFRSHIBLDQYOREY-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.32
Rot. Bonds2

About 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide

5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 82766729) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID82766729
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1ccc(Br)c(NC(=O)c2cn[nH]c2N)c1
InChIInChI=1S/C11H11BrN4O/c1-6-2-3-8(12)9(4-6)15-11(17)7-5-14-16-10(7)13/h2-5H,1H3,(H,15,17)(H3,13,14,16)
InChIKeyFRSHIBLDQYOREY-UHFFFAOYSA-N
XLogP2.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 110484171
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CID 61475532
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CID 82757217
3-amino-5-bromo-N-(2-bromo-5-methylphenyl)-2-methylbenzamide
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2-amino-N-(2-bromo-5-methylphenyl)-3-fluoropyridine-4-carboxamide
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5-amino-N-(2-bromo-5-methylphenyl)-2,3-dichlorobenzamide
CID 107185700
N-(2-bromo-5-methylphenyl)-2-methoxy-5-methylbenzamide
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CID 106685098
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CID 82766572

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide (CID 82766729) is 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide is Cc1ccc(Br)c(NC(=O)c2cn[nH]c2N)c1.
What is the InChIKey of 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is FRSHIBLDQYOREY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-2-3-8(12)9(4-6)15-11(17)7-5-14-16-10(7)13/h2-5H,1H3,(H,15,17)(H3,13,14,16).
What are the key properties of 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide?
5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-bromo-5-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 82766729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).