2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide

C11H11BrN4 — CID 107110480

IUPAC2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrN4/c1-7-3-2-4-9(11(13)14)10(7)16-6-8(12)5-15-16/h2-6H,1H3,(H3,13,14)
InChIKeySMZQAXQUASVSPX-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.23
Rot. Bonds2

About 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide

2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide (PubChem CID 107110480) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide.

Molecular Properties

Compound Name2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
PubChem CID107110480
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(C)c1-n1cc(Br)cn1
InChIInChI=1S/C11H11BrN4/c1-7-3-2-4-9(11(13)14)10(7)16-6-8(12)5-15-16/h2-6H,1H3,(H3,13,14)
InChIKeySMZQAXQUASVSPX-UHFFFAOYSA-N
XLogP2.23
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.14
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-[2-(1H-pyrazol-1-yl)phenyl]methanamine
CID 7015036
1-(4-bromo-2-methylphenyl)-1H-pyrazole
CID 75422432
[2-(3-methyl-1H-pyrazol-1-yl)phenyl]methanamine
CID 19627377
2-methyl-4-(1H-pyrazol-1-yl)aniline
CID 14450261
1-(1-(2-Methylphenyl)-1H-pyrazol-4-yl)methanamine
CID 24704103
4-bromo-1-(2-methylphenyl)-1H-pyrazole
CID 59774117
(2-fluoro-6-(1H-pyrazol-1-yl)phenyl)methanamine
CID 79516031
2-[(E)-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methylideneamino]guanidine
CID 122194152
(2-Pyrazol-1-ylphenyl)methylazanium
CID 7015035
1-[2-(1H-Pyrazol-1-YL)phenyl]ethanamine
CID 43188916
[2-(1H-pyrazol-1-yl)phenyl]methanamine hydrochloride
CID 47000613
4-[2-(4-bromo-1H-pyrazol-1-yl)ethyl]aniline
CID 54595172

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide?
The IUPAC name of 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide (CID 107110480) is 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide.
What is the SMILES notation for 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide?
The canonical SMILES for 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide is [H]/N=C(\N)c1cccc(C)c1-n1cc(Br)cn1.
What is the InChIKey of 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide?
The InChIKey is SMZQAXQUASVSPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-3-2-4-9(11(13)14)10(7)16-6-8(12)5-15-16/h2-6H,1H3,(H3,13,14).
What are the key properties of 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide?
2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide has a molecular weight of 279.14 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromopyrazol-1-yl)-3-methylbenzenecarboximidamide is sourced from PubChem (CID 107110480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).