1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide

C12H13BrN4O — CID 65342316

IUPAC1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Br)ccc2N)n1
InChIInChI=1S/C12H13BrN4O/c1-16(2)12(18)10-5-6-17(15-10)11-7-8(13)3-4-9(11)14/h3-7H,14H2,1-2H3
InChIKeyQQDVMKSTBGXLPM-UHFFFAOYSA-N
MW309.17 g/mol
LogP1.92
Rot. Bonds2

About 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide

1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 65342316) has the molecular formula C12H13BrN4O and a molecular weight of 309.17 g/mol. Its IUPAC name is 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
PubChem CID65342316
Molecular FormulaC12H13BrN4O
Molecular Weight309.17 g/mol
Exact Mass308.03
IUPAC Name1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide
SMILESCN(C)C(=O)c1ccn(-c2cc(Br)ccc2N)n1
InChIInChI=1S/C12H13BrN4O/c1-16(2)12(18)10-5-6-17(15-10)11-7-8(13)3-4-9(11)14/h3-7H,14H2,1-2H3
InChIKeyQQDVMKSTBGXLPM-UHFFFAOYSA-N
XLogP1.92
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.17
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromo-2-nitrophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781574
1-(2-amino-4-methylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780746
1-(2-amino-4-fluorophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64782079
1-(2-amino-4-bromophenyl)-N-methylpyrazole-3-carboxamide
CID 64782639
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79827052
1-[2-amino-4-(methylcarbamoyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 82992414
1-(4-amino-3-methoxyphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781320
1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 104507196
1-(4-amino-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780550
1-[3-(aminomethyl)-5-bromophenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 102814437
1-(4-amino-3-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 115499714
1-(5-aminoquinolin-6-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781891

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide (CID 65342316) is 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide is CN(C)C(=O)c1ccn(-c2cc(Br)ccc2N)n1.
What is the InChIKey of 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is QQDVMKSTBGXLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O/c1-16(2)12(18)10-5-6-17(15-10)11-7-8(13)3-4-9(11)14/h3-7H,14H2,1-2H3.
What are the key properties of 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide?
1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 309.17 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-bromophenyl)-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 65342316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).