N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide

C14H16Br2N4O — CID 66122727

IUPACN-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2c(N)cc(Br)cc2Br)n(CC)n1
InChIInChI=1S/C14H16Br2N4O/c1-3-9-7-12(20(4-2)19-9)14(21)18-13-10(16)5-8(15)6-11(13)17/h5-7H,3-4,17H2,1-2H3,(H,18,21)
InChIKeyQNUXYUZXTYAYOS-UHFFFAOYSA-N
MW416.12 g/mol
LogP3.82
Rot. Bonds4

About N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide

N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide (PubChem CID 66122727) has the molecular formula C14H16Br2N4O and a molecular weight of 416.12 g/mol. Its IUPAC name is N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide
PubChem CID66122727
Molecular FormulaC14H16Br2N4O
Molecular Weight416.12 g/mol
Exact Mass413.97
IUPAC NameN-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)Nc2c(N)cc(Br)cc2Br)n(CC)n1
InChIInChI=1S/C14H16Br2N4O/c1-3-9-7-12(20(4-2)19-9)14(21)18-13-10(16)5-8(15)6-11(13)17/h5-7H,3-4,17H2,1-2H3,(H,18,21)
InChIKeyQNUXYUZXTYAYOS-UHFFFAOYSA-N
XLogP3.82
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.12
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-6-fluorophenyl)-1,3-diethylpyrazole-5-carboxamide
CID 81315071
N-(3-bromo-4-methylphenyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120808
N-(3-bromo-2-pyridinyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121397
N-[4-(aminomethyl)phenyl]-1,3-diethylpyrazole-5-carboxamide
CID 66120978
N-(2-aminopropyl)-1,3-diethylpyrazole-5-carboxamide
CID 66120033
N-(2-amino-4,6-dibromophenyl)-4-ethylthiadiazole-5-carboxamide
CID 65206158
N-(2-aminoethyl)-1,3-diethylpyrazole-5-carboxamide
CID 66121952
N-(4-carbamothioyl-1H-pyrazol-5-yl)-1,3-diethylpyrazole-5-carboxamide
CID 79503795
1,3-diethyl-N-(2-methoxyethoxy)pyrazole-5-carboxamide
CID 82721370
N-(5-amino-2-bromo-4-methylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 104814558
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide (CID 66122727) is N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide is CCc1cc(C(=O)Nc2c(N)cc(Br)cc2Br)n(CC)n1.
What is the InChIKey of N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide?
The InChIKey is QNUXYUZXTYAYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br2N4O/c1-3-9-7-12(20(4-2)19-9)14(21)18-13-10(16)5-8(15)6-11(13)17/h5-7H,3-4,17H2,1-2H3,(H,18,21).
What are the key properties of N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide?
N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide has a molecular weight of 416.12 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,6-dibromophenyl)-1,3-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 66122727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).