4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide

C8H7BrN6O — CID 107346451

IUPAC4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ncncc2Br)cc1N
InChIInChI=1S/C8H7BrN6O/c9-4-1-12-3-13-8(4)15-2-5(10)6(14-15)7(11)16/h1-3H,10H2,(H2,11,16)
InChIKeyGGOKNCSJWNGNPU-UHFFFAOYSA-N
MW283.09 g/mol
LogP0.11
Rot. Bonds2

About 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide

4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide (PubChem CID 107346451) has the molecular formula C8H7BrN6O and a molecular weight of 283.09 g/mol. Its IUPAC name is 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
PubChem CID107346451
Molecular FormulaC8H7BrN6O
Molecular Weight283.09 g/mol
Exact Mass281.99
IUPAC Name4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
SMILESNC(=O)c1nn(-c2ncncc2Br)cc1N
InChIInChI=1S/C8H7BrN6O/c9-4-1-12-3-13-8(4)15-2-5(10)6(14-15)7(11)16/h1-3H,10H2,(H2,11,16)
InChIKeyGGOKNCSJWNGNPU-UHFFFAOYSA-N
XLogP0.11
TPSA112.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.09
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide
CID 66318435
4-amino-1-(5-fluoro-6-methylpyrimidin-4-yl)pyrazole-3-carboxamide
CID 114045781
4-amino-1-(5-bromo-6-methyl-2-pyridinyl)pyrazole-3-carboxamide
CID 114047380
4-amino-1-(5-cyano-2-pyridinyl)pyrazole-3-carboxamide
CID 107346504
4-amino-1-(5-methyl-3-pyridinyl)pyrazole-3-carboxamide
CID 107346539
4-amino-1-(3-methyl-4-pyridinyl)pyrazole-3-carboxamide
CID 107346449
4-amino-1-(2-bromo-4-cyanophenyl)pyrazole-3-carboxamide
CID 107346677
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
4-amino-1-ethylsulfinylpyrazole-3-carboxamide
CID 131223531
4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide
CID 107346445
4-amino-1-pyrimidin-4-ylpyrazole-3-carboxylic acid
CID 107346001
5-bromopyrimidine-4-carboxylic acid
CID 21329200

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide (CID 107346451) is 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide is NC(=O)c1nn(-c2ncncc2Br)cc1N.
What is the InChIKey of 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
The InChIKey is GGOKNCSJWNGNPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN6O/c9-4-1-12-3-13-8(4)15-2-5(10)6(14-15)7(11)16/h1-3H,10H2,(H2,11,16).
What are the key properties of 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide?
4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide has a molecular weight of 283.09 g/mol, XLogP of 0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(5-bromopyrimidin-4-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 107346451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).