2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide

C11H11BrN4O — CID 81303223

IUPAC2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c1-17-8-2-3-9(11(13)14)10(4-8)16-6-7(12)5-15-16/h2-6H,1H3,(H3,13,14)
InChIKeyVAOFPMGLPBTFRB-UHFFFAOYSA-N
MW295.14 g/mol
LogP1.93
Rot. Bonds3

About 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide

2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide (PubChem CID 81303223) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
PubChem CID81303223
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(OC)cc1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrN4O/c1-17-8-2-3-9(11(13)14)10(4-8)16-6-7(12)5-15-16/h2-6H,1H3,(H3,13,14)
InChIKeyVAOFPMGLPBTFRB-UHFFFAOYSA-N
XLogP1.93
TPSA76.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-bromopyrazol-1-yl)-2-chlorobenzenecarboximidamide
CID 62948544
2,4-dimethoxybenzenecarboximidamide
CID 4138242
2-(4-tert-butylpiperazin-1-yl)-4-methoxybenzenecarboximidamide
CID 81300125
4-methoxy-2-(2-methylimidazol-1-yl)benzenecarboximidamide
CID 81302850
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
CID 107110480
4-methoxy-2-[4-(2-methylpropyl)piperazin-1-yl]benzenecarboximidamide
CID 81299546
2-(4-bromo-2-fluorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303138
2-(4,4-diethylpiperidin-1-yl)-4-methoxybenzenecarboximidamide
CID 81299371
2-(5-bromo-2-chlorophenoxy)-4-methoxybenzenecarboximidamide
CID 81303045
2-(4-methylpyrazol-1-yl)benzenecarboximidamide
CID 60873112
2-[(3-bromophenyl)methoxy]-4-methoxybenzenecarboximidamide
CID 82823793

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide (CID 81303223) is 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide is [H]/N=C(\N)c1ccc(OC)cc1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide?
The InChIKey is VAOFPMGLPBTFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-17-8-2-3-9(11(13)14)10(4-8)16-6-7(12)5-15-16/h2-6H,1H3,(H3,13,14).
What are the key properties of 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide?
2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide has a molecular weight of 295.14 g/mol, XLogP of 1.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-4-methoxybenzenecarboximidamide is sourced from PubChem (CID 81303223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).