1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide

C10H9BrN4O — CID 65342368

IUPAC1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cc(Br)ccc2N)c1
InChIInChI=1S/C10H9BrN4O/c11-7-1-2-8(12)9(3-7)15-5-6(4-14-15)10(13)16/h1-5H,12H2,(H2,13,16)
InChIKeyPGKYARGOWLVSIJ-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.32
Rot. Bonds2

About 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide

1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide (PubChem CID 65342368) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide
PubChem CID65342368
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide
SMILESNC(=O)c1cnn(-c2cc(Br)ccc2N)c1
InChIInChI=1S/C10H9BrN4O/c11-7-1-2-8(12)9(3-7)15-5-6(4-14-15)10(13)16/h1-5H,12H2,(H2,13,16)
InChIKeyPGKYARGOWLVSIJ-UHFFFAOYSA-N
XLogP1.32
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide?
The IUPAC name of 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide (CID 65342368) is 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide is NC(=O)c1cnn(-c2cc(Br)ccc2N)c1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide?
The InChIKey is PGKYARGOWLVSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c11-7-1-2-8(12)9(3-7)15-5-6(4-14-15)10(13)16/h1-5H,12H2,(H2,13,16).
What are the key properties of 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide?
1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide has a molecular weight of 281.11 g/mol, XLogP of 1.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 65342368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).