3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide

C11H10Br2N4O — CID 64525402

IUPAC3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)n[nH]2)c(Br)c1
InChIInChI=1S/C11H10Br2N4O/c1-5-2-6(12)10(7(13)3-5)15-11(18)8-4-9(14)17-16-8/h2-4H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyMVHIDLHBYIKQHR-UHFFFAOYSA-N
MW374.04 g/mol
LogP3.08
Rot. Bonds2

About 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide

3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide (PubChem CID 64525402) has the molecular formula C11H10Br2N4O and a molecular weight of 374.04 g/mol. Its IUPAC name is 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide
PubChem CID64525402
Molecular FormulaC11H10Br2N4O
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide
SMILESCc1cc(Br)c(NC(=O)c2cc(N)n[nH]2)c(Br)c1
InChIInChI=1S/C11H10Br2N4O/c1-5-2-6(12)10(7(13)3-5)15-11(18)8-4-9(14)17-16-8/h2-4H,1H3,(H,15,18)(H3,14,16,17)
InChIKeyMVHIDLHBYIKQHR-UHFFFAOYSA-N
XLogP3.08
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.04
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(4-bromo-2,6-dimethylphenyl)-1H-pyrazole-5-carboxamide
CID 64523433
4-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrrole-2-carboxamide
CID 43643269
3-amino-N-(1,3,5-trimethylpyrazol-4-yl)-1H-pyrazole-5-carboxamide
CID 64524039
3-amino-N-(2-fluoro-5-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64524613
3-amino-N-(4-bromo-2-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 64525794
5-amino-N-(2,6-dibromo-4-methylphenyl)-2,4-dimethylbenzamide
CID 102704977
3-amino-N-(2-methoxy-4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 64526078
3-amino-N-(5-methyl-1,3-thiazol-2-yl)-1H-pyrazole-5-carboxamide
CID 64524009
3-amino-N-[4-bromo-3-(trifluoromethyl)phenyl]-1H-pyrazole-5-carboxamide
CID 64854925
3-amino-N-(2-bromo-4-cyanophenyl)-1H-pyrazole-5-carboxamide
CID 107796825
N-(2,6-dibromo-4-methylphenyl)-4-iodobenzamide
CID 60629541
N-(2-amino-6-bromo-4-methylphenyl)-1H-pyrazole-4-carboxamide
CID 116813556

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide (CID 64525402) is 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide is Cc1cc(Br)c(NC(=O)c2cc(N)n[nH]2)c(Br)c1.
What is the InChIKey of 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide?
The InChIKey is MVHIDLHBYIKQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N4O/c1-5-2-6(12)10(7(13)3-5)15-11(18)8-4-9(14)17-16-8/h2-4H,1H3,(H,15,18)(H3,14,16,17).
What are the key properties of 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide?
3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide has a molecular weight of 374.04 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,6-dibromo-4-methylphenyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64525402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).