N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide

C11H11BrN4O — CID 116813556

IUPACN-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cc(N)c(NC(=O)c2cn[nH]c2)c(Br)c1
InChIInChI=1S/C11H11BrN4O/c1-6-2-8(12)10(9(13)3-6)16-11(17)7-4-14-15-5-7/h2-5H,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyLDCIGEXQRRBOAR-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.32
Rot. Bonds2

About N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide

N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide (PubChem CID 116813556) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
PubChem CID116813556
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC NameN-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
SMILESCc1cc(N)c(NC(=O)c2cn[nH]c2)c(Br)c1
InChIInChI=1S/C11H11BrN4O/c1-6-2-8(12)10(9(13)3-6)16-11(17)7-4-14-15-5-7/h2-5H,13H2,1H3,(H,14,15)(H,16,17)
InChIKeyLDCIGEXQRRBOAR-UHFFFAOYSA-N
XLogP2.32
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-bromo-4-methylphenyl)-5-methylpyridine-3-carboxamide
CID 116813683
N-(2-amino-6-bromo-4-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 116813696
N-(2-amino-6-bromo-4-methylphenyl)-3-methoxy-4-methylbenzamide
CID 116813686
N-(2-amino-6-bromo-4-methylphenyl)-2,4-dimethyl-1,3-oxazole-5-carboxamide
CID 116813489
N-(2-amino-6-bromo-4-methylphenyl)-2,4,6-trifluorobenzamide
CID 116813509
N-(2-amino-6-bromo-4-methylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 116813681
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 43643269
N-(2-bromo-5-chloro-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 104724206
N-(2-amino-6-bromo-4-methylphenyl)-3-hydroxy-2-methylbenzamide
CID 116813418
N-(2-amino-6-bromo-4-methylphenyl)-3-methylfuran-2-carboxamide
CID 116813642
N-(2-amino-6-bromo-4-methylphenyl)-2-fluoro-4-methylbenzamide
CID 116813658
N-(4-bromophenyl)-1H-pyrazole-4-carboxamide
CID 43532863

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide (CID 116813556) is N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide is Cc1cc(N)c(NC(=O)c2cn[nH]c2)c(Br)c1.
What is the InChIKey of N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide?
The InChIKey is LDCIGEXQRRBOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-6-2-8(12)10(9(13)3-6)16-11(17)7-4-14-15-5-7/h2-5H,13H2,1H3,(H,14,15)(H,16,17).
What are the key properties of N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide?
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.32, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 116813556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).