5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide

C11H11BrN4O — CID 80504044

IUPAC5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Br)cc2)c1N
InChIInChI=1S/C11H11BrN4O/c1-16-10(13)9(6-14-16)11(17)15-8-4-2-7(12)3-5-8/h2-6H,13H2,1H3,(H,15,17)
InChIKeyVBBGMDYFFZNGBU-UHFFFAOYSA-N
MW295.14 g/mol
LogP2.02
Rot. Bonds2

About 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide

5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide (PubChem CID 80504044) has the molecular formula C11H11BrN4O and a molecular weight of 295.14 g/mol. Its IUPAC name is 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
PubChem CID80504044
Molecular FormulaC11H11BrN4O
Molecular Weight295.14 g/mol
Exact Mass294.01
IUPAC Name5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)Nc2ccc(Br)cc2)c1N
InChIInChI=1S/C11H11BrN4O/c1-16-10(13)9(6-14-16)11(17)15-8-4-2-7(12)3-5-8/h2-6H,13H2,1H3,(H,15,17)
InChIKeyVBBGMDYFFZNGBU-UHFFFAOYSA-N
XLogP2.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.14
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(3-bromo-5-methylphenyl)-1-methylpyrazole-4-carboxamide
CID 104939258
5-amino-N-[4-(difluoromethoxy)phenyl]-1-methylpyrazole-4-carboxamide
CID 115330375
5-amino-N-(3-hydroxyphenyl)-1-methylpyrazole-4-carboxamide
CID 82547033
5-amino-N-(4-bromo-2,3-dichlorophenyl)-1-methylpyrazole-4-carboxamide
CID 107792556
5-amino-1-methyl-N-quinolin-3-ylpyrazole-4-carboxamide
CID 115330770
5-amino-N'-(4-chlorophenyl)-1-methylpyrazole-4-carbohydrazide
CID 176657421
N-(4-acetamidophenyl)-5-chloro-1-methylpyrazole-4-carboxamide
CID 75538051
3-amino-N-(4-bromophenyl)pyridine-4-carboxamide
CID 23633070
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
methyl 2-[(5-amino-1-methylpyrazole-4-carbonyl)amino]benzoate
CID 82546289
5-amino-1-methyl-N-(4-methyl-2-pyridinyl)pyrazole-4-carboxamide
CID 82547054
5-amino-N-(1-ethylpyrazol-3-yl)-1-methylpyrazole-4-carboxamide
CID 114252333

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide (CID 80504044) is 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)Nc2ccc(Br)cc2)c1N.
What is the InChIKey of 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide?
The InChIKey is VBBGMDYFFZNGBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrN4O/c1-16-10(13)9(6-14-16)11(17)15-8-4-2-7(12)3-5-8/h2-6H,13H2,1H3,(H,15,17).
What are the key properties of 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide?
5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide has a molecular weight of 295.14 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(4-bromophenyl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 80504044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).