1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide

C11H11BrN4 — CID 82528338

IUPAC1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C11H11BrN4/c1-7-10(11(13)14)6-15-16(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14)
InChIKeyDYLTWBCNYOBYTH-UHFFFAOYSA-N
MW279.14 g/mol
LogP2.23
Rot. Bonds2

About 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide

1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide (PubChem CID 82528338) has the molecular formula C11H11BrN4 and a molecular weight of 279.14 g/mol. Its IUPAC name is 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide.

Molecular Properties

Compound Name1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide
PubChem CID82528338
Molecular FormulaC11H11BrN4
Molecular Weight279.14 g/mol
Exact Mass278.02
IUPAC Name1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide
SMILES[H]/N=C(\N)c1cnn(-c2ccc(Br)cc2)c1C
InChIInChI=1S/C11H11BrN4/c1-7-10(11(13)14)6-15-16(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14)
InChIKeyDYLTWBCNYOBYTH-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-(4-bromophenyl)-N-(1-hydroxypropan-2-yl)-5-methylpyrazole-4-carboxamide
CID 78856717
ethyl 5-bromo-1-(4-bromophenyl)pyrazole-4-carboxylate
CID 53429357
1-(4-bromophenyl)-5-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 32693366
N-(3-amino-2,2-dimethylpropyl)-1-(4-bromophenyl)-N,5-dimethylpyrazole-4-carboxamide
CID 119654418
N-(4-aminocyclohexyl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119476425
1-(4-bromophenyl)-N-(2-hydroxyphenyl)-5-methylpyrazole-4-carboxamide
CID 32908999
1-(4-chlorophenyl)-5-methylpyrazole-4-carbothioamide
CID 82528276
1-(4-bromophenyl)-N-cycloheptyl-5-methylpyrazole-4-carboxamide
CID 31942281
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(1-amino-2,3-dimethylbutan-2-yl)-1-(4-bromophenyl)-5-methylpyrazole-4-carboxamide
CID 119607007
1-(4-bromophenyl)-N-(3-methoxypropyl)-5-methylpyrazole-4-carboxamide
CID 32651721
1-(4-bromophenyl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]-5-methylpyrazole-4-carboxamide
CID 60572248

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide?
The IUPAC name of 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide (CID 82528338) is 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide.
What is the SMILES notation for 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide?
The canonical SMILES for 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide is [H]/N=C(\N)c1cnn(-c2ccc(Br)cc2)c1C.
What is the InChIKey of 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide?
The InChIKey is DYLTWBCNYOBYTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4/c1-7-10(11(13)14)6-15-16(7)9-4-2-8(12)3-5-9/h2-6H,1H3,(H3,13,14).
What are the key properties of 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide?
1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide 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 1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide is sourced from PubChem (CID 82528338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).