4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide

C9H8BrN5O — CID 19577614

IUPAC4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C9H8BrN5O/c1-15-5-6(10)7(14-15)8(16)13-9-11-3-2-4-12-9/h2-5H,1H3,(H,11,12,13,16)
InChIKeyQVSRHYYCBORNRM-UHFFFAOYSA-N
MW282.10 g/mol
LogP1.22
Rot. Bonds2

About 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide

4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide (PubChem CID 19577614) has the molecular formula C9H8BrN5O and a molecular weight of 282.10 g/mol. Its IUPAC name is 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
PubChem CID19577614
Molecular FormulaC9H8BrN5O
Molecular Weight282.10 g/mol
Exact Mass280.99
IUPAC Name4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide
SMILESCn1cc(Br)c(C(=O)Nc2ncccn2)n1
InChIInChI=1S/C9H8BrN5O/c1-15-5-6(10)7(14-15)8(16)13-9-11-3-2-4-12-9/h2-5H,1H3,(H,11,12,13,16)
InChIKeyQVSRHYYCBORNRM-UHFFFAOYSA-N
XLogP1.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.10
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
4-bromo-1-methylpyrazole-3-carbohydrazide
CID 605116
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoic acid
CID 1214119
4-bromo-N-(2,3-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262689
2-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]benzoate
CID 7067902
4-bromo-N-(4-ethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 659584
4-bromo-N-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 835667
4-bromo-N-[1-[(2-chloro-6-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1-methylpyrazole-3-carboxamide
CID 19262870
4-bromo-N-(2,4-dibromo-6-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 1014790
4-bromo-N-(2,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 19262777
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607
4-bromo-N-(5-chloro-2-hydroxyphenyl)-1-methylpyrazole-3-carboxamide
CID 19262709

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide?
The IUPAC name of 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide (CID 19577614) is 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide?
The canonical SMILES for 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide is Cn1cc(Br)c(C(=O)Nc2ncccn2)n1.
What is the InChIKey of 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide?
The InChIKey is QVSRHYYCBORNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrN5O/c1-15-5-6(10)7(14-15)8(16)13-9-11-3-2-4-12-9/h2-5H,1H3,(H,11,12,13,16).
What are the key properties of 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide?
4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide has a molecular weight of 282.10 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-N-pyrimidin-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 19577614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).