N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide

C11H11BrN4O — CID 114088400

IUPACN-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)c1ccc(Br)cc1N
InChIInChI=1S/C11H11BrN4O/c1-16(11(17)7-5-14-15-6-7)10-3-2-8(12)4-9(10)13/h2-6H,13H2,1H3,(H,14,15)
InChIKeyVNWZKGZRRUUQDO-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.03
Rot. Bonds2

About N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide

N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide (PubChem CID 114088400) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide
PubChem CID114088400
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide
SMILESCN(C(=O)c1cn[nH]c1)c1ccc(Br)cc1N
InChIInChI=1S/C11H11BrN4O/c1-16(11(17)7-5-14-15-6-7)10-3-2-8(12)4-9(10)13/h2-6H,13H2,1H3,(H,14,15)
InChIKeyVNWZKGZRRUUQDO-UHFFFAOYSA-N
XLogP2.03
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-bromo-N-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 79723302
tert-butyl N-(2-amino-4-bromophenyl)-N-methylcarbamate
CID 103694246
methyl 2-[methyl(1H-pyrazole-4-carbonyl)amino]benzoate
CID 43623067
N-(3-amino-4-pyridinyl)-3,5-dibromo-N-methylbenzamide
CID 107971013
N-(4-methoxyphenyl)-N-methyl-1H-pyrazole-4-carboxamide
CID 62003471
1-(2-amino-4-bromophenyl)-3-butyl-1-methylurea
CID 114088438
(4-bromophenyl)-(1H-pyrazol-4-yl)methanone
CID 69200129
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863
N-(4-aminophenyl)-N-ethyl-1H-pyrazole-4-carboxamide
CID 63234213
N-(3-amino-4-pyridinyl)-5-bromo-2-hydroxy-N-methylbenzamide
CID 107729224
N-(3-amino-4-pyridinyl)-5-bromo-N,2-dimethylbenzamide
CID 65306033
2-amino-4-bromo-N,N-dimethylbenzamide
CID 79714600

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide (CID 114088400) is N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide is CN(C(=O)c1cn[nH]c1)c1ccc(Br)cc1N.
What is the InChIKey of N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
The InChIKey is VNWZKGZRRUUQDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-16(11(17)7-5-14-15-6-7)10-3-2-8(12)4-9(10)13/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide?
N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-bromophenyl)-N-methyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 114088400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).