5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide

C11H9BrCl2N4O — CID 107792556

IUPAC5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1N
InChIInChI=1S/C11H9BrCl2N4O/c1-18-10(15)5(4-16-18)11(19)17-7-3-2-6(12)8(13)9(7)14/h2-4H,15H2,1H3,(H,17,19)
InChIKeySQTAMAZMGSDBDP-UHFFFAOYSA-N
MW364.03 g/mol
LogP3.32
Rot. Bonds2

About 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 107792556) has the molecular formula C11H9BrCl2N4O and a molecular weight of 364.03 g/mol. Its IUPAC name is 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID107792556
Molecular FormulaC11H9BrCl2N4O
Molecular Weight364.03 g/mol
Exact Mass361.93
IUPAC Name5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1N
InChIInChI=1S/C11H9BrCl2N4O/c1-18-10(15)5(4-16-18)11(19)17-7-3-2-6(12)8(13)9(7)14/h2-4H,15H2,1H3,(H,17,19)
InChIKeySQTAMAZMGSDBDP-UHFFFAOYSA-N
XLogP3.32
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.03
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793511
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
CID 80504044
5-amino-N-(2-chloro-5-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 115330655
5-amino-N-(5-chloroquinolin-8-yl)-1-methylpyrazole-4-carboxamide
CID 104625471
N-(4-bromo-2,3-dichlorophenyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 107792769
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
6-amino-N-(4-bromo-2,3-dichlorophenyl)pyridine-3-carboxamide
CID 107793435
2,5-dibromo-N-(4-bromo-2,3-dichlorophenyl)benzamide
CID 107791014
N-(4-bromo-2,3-dichlorophenyl)acetamide
CID 22462548
5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 104939258
N-(2-amino-4-chlorophenyl)-1,5-dimethylpyrazole-4-carboxamide
CID 28776782
N-(4-bromo-2,3-dichlorophenyl)-2-chloro-5-hydroxybenzamide
CID 107791092

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide (CID 107792556) is 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(Br)c(Cl)c2Cl)c1N.
What is the InChIKey of 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is SQTAMAZMGSDBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrCl2N4O/c1-18-10(15)5(4-16-18)11(19)17-7-3-2-6(12)8(13)9(7)14/h2-4H,15H2,1H3,(H,17,19).
What are the key properties of 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 364.03 g/mol, XLogP of 3.32, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 107792556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).