1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide

C11H11BrN4O — CID 64782639

IUPAC1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(Br)cc2N)n1
InChIInChI=1S/C11H11BrN4O/c1-14-11(17)9-4-5-16(15-9)10-3-2-7(12)6-8(10)13/h2-6H,13H2,1H3,(H,14,17)
InChIKeySHEDOSUACIGOQY-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.58
Rot. Bonds2

About 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide

1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide (PubChem CID 64782639) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
PubChem CID64782639
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
SMILESCNC(=O)c1ccn(-c2ccc(Br)cc2N)n1
InChIInChI=1S/C11H11BrN4O/c1-14-11(17)9-4-5-16(15-9)10-3-2-7(12)6-8(10)13/h2-6H,13H2,1H3,(H,14,17)
InChIKeySHEDOSUACIGOQY-UHFFFAOYSA-N
XLogP1.58
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.58
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-4-bromophenyl)-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide (CID 64782639) is 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide is CNC(=O)c1ccn(-c2ccc(Br)cc2N)n1.
What is the InChIKey of 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide?
The InChIKey is SHEDOSUACIGOQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-14-11(17)9-4-5-16(15-9)10-3-2-7(12)6-8(10)13/h2-6H,13H2,1H3,(H,14,17).
What are the key properties of 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide?
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 1.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 64782639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).